N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide

C114H139Cl7F3N25O6S — CID 158865967

IUPACN-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CCN(c2ncccc2Cl)CC1.CC(C)(C)c1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(N1CCN(c2ccccc2Cl)CC1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1ccccc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C22H29ClN4O.C20H23Cl2N5O.C19H21ClN4O.C18H21ClN4O.C18H29ClN4O.C17H16ClF3N4OS/c1-22(2,3)18-8-6-17(7-9-18)10-12-25-21(28)27-15-13-26(14-16-27)20-19(23)5-4-11-24-20;21-16-4-1-2-6-18(16)24-8-12-26(13-9-24)20(28)27-14-10-25(11-15-27)19-17(22)5-3-7-23-19;20-17-5-2-8-21-18(17)23-9-11-24(12-10-23)19(25)22-16-7-6-14-3-1-4-15(14)13-16;19-16-7-4-9-20-17(16)22-11-13-23(14-12-22)18(24)21-10-8-15-5-2-1-3-6-15;1-17(2,3)13-18(4,5)21-16(24)23-11-9-22(10-12-23)15-14(19)7-6-8-20-15;18-14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)27-17(19,20)21/h4-9,11H,10,12-16H2,1-3H3,(H,25,28);1-7H,8-15H2;2,5-8,13H,1,3-4,9-12H2,(H,22,25);1-7,9H,8,10-14H2,(H,21,24);6-8H,9-13H2,1-5H3,(H,21,24);1-7H,8-11H2,(H,23,26)
InChIKeyJBFUQGSCVOMPDM-UHFFFAOYSA-N
MW2292.77 g/mol
LogP22.43
Rot. Bonds18

About N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide

N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide (PubChem CID 158865967) has the molecular formula C114H139Cl7F3N25O6S and a molecular weight of 2292.77 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide
PubChem CID158865967
Molecular FormulaC114H139Cl7F3N25O6S
Molecular Weight2292.77 g/mol
Exact Mass2287.88
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CCN(c2ncccc2Cl)CC1.CC(C)(C)c1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(N1CCN(c2ccccc2Cl)CC1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1ccccc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C22H29ClN4O.C20H23Cl2N5O.C19H21ClN4O.C18H21ClN4O.C18H29ClN4O.C17H16ClF3N4OS/c1-22(2,3)18-8-6-17(7-9-18)10-12-25-21(28)27-15-13-26(14-16-27)20-19(23)5-4-11-24-20;21-16-4-1-2-6-18(16)24-8-12-26(13-9-24)20(28)27-14-10-25(11-15-27)19-17(22)5-3-7-23-19;20-17-5-2-8-21-18(17)23-9-11-24(12-10-23)19(25)22-16-7-6-14-3-1-4-15(14)13-16;19-16-7-4-9-20-17(16)22-11-13-23(14-12-22)18(24)21-10-8-15-5-2-1-3-6-15;1-17(2,3)13-18(4,5)21-16(24)23-11-9-22(10-12-23)15-14(19)7-6-8-20-15;18-14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)27-17(19,20)21/h4-9,11H,10,12-16H2,1-3H3,(H,25,28);1-7H,8-15H2;2,5-8,13H,1,3-4,9-12H2,(H,22,25);1-7,9H,8,10-14H2,(H,21,24);6-8H,9-13H2,1-5H3,(H,21,24);1-7H,8-11H2,(H,23,26)
InChIKeyJBFUQGSCVOMPDM-UHFFFAOYSA-N
XLogP22.43
TPSA285.27 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.77
LogP ≤ 522.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-ethylpiperazine-1-carboxamide;(2R)-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carbothioamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide;4-(3-chloro-2-pyridinyl)-2-propan-2-yl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 157858614
N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 159764199
N-benzyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-[(3-tert-butylphenyl)methyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 159779297
(2R)-N-(4-butan-2-ylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2,6-dimethylpiperazine-1-carboxamide;(2R)-N-(4-cyclohexylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[3-methyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(4,4,4-trifluorobutan-2-yl)phenyl]piperazine-1-carboxamide
CID 160494595
2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
CID 160999175
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161034446
(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;(2R)-2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 161078255
4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 161078256
(2R)-N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161656839
(2R)-N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]piperazine-1-carboxamide;(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161996776
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-3-methylpiperazine-1-carboxamide;(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;(3R)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 158271305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide (CID 158865967) is N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide is CC(C)(C)CC(C)(C)NC(=O)N1CCN(c2ncccc2Cl)CC1.CC(C)(C)c1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(N1CCN(c2ccccc2Cl)CC1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1ccccc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1.O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide?
The InChIKey is JBFUQGSCVOMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O.C20H23Cl2N5O.C19H21ClN4O.C18H21ClN4O.C18H29ClN4O.C17H16ClF3N4OS/c1-22(2,3)18-8-6-17(7-9-18)10-12-25-21(28)27-15-13-26(14-16-27)20-19(23)5-4-11-24-20;21-16-4-1-2-6-18(16)24-8-12-26(13-9-24)20(28)27-14-10-25(11-15-27)19-17(22)5-3-7-23-19;20-17-5-2-8-21-18(17)23-9-11-24(12-10-23)19(25)22-16-7-6-14-3-1-4-15(14)13-16;19-16-7-4-9-20-17(16)22-11-13-23(14-12-22)18(24)21-10-8-15-5-2-1-3-6-15;1-17(2,3)13-18(4,5)21-16(24)23-11-9-22(10-12-23)15-14(19)7-6-8-20-15;18-14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)27-17(19,20)21/h4-9,11H,10,12-16H2,1-3H3,(H,25,28);1-7H,8-15H2;2,5-8,13H,1,3-4,9-12H2,(H,22,25);1-7,9H,8,10-14H2,(H,21,24);6-8H,9-13H2,1-5H3,(H,21,24);1-7H,8-11H2,(H,23,26).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide?
N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide has a molecular weight of 2292.77 g/mol, XLogP of 22.43, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone;4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1H-inden-5-yl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylethyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2,4,4-trimethylpentan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 158865967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).