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

C77H88Cl3F7N16O4 — CID 159779297

IUPACN-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
SMILESCC(C)(C)c1cccc(CNC(=O)N2CCN(c3ncccc3Cl)CC2)c1.CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCN(c2ncccc2Cl)CC1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(NCc1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H27ClN4O.C20H24ClFN4O.C18H18ClF3N4O.C18H19F3N4O/c1-21(2,3)17-7-4-6-16(14-17)15-24-20(27)26-12-10-25(11-13-26)19-18(22)8-5-9-23-19;1-20(2,14-15-5-7-16(22)8-6-15)24-19(27)26-12-10-25(11-13-26)18-17(21)4-3-9-23-18;19-15-10-14(18(20,21)22)12-23-16(15)25-6-8-26(9-7-25)17(27)24-11-13-4-2-1-3-5-13;1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h4-9,14H,10-13,15H2,1-3H3,(H,24,27);3-9H,10-14H2,1-2H3,(H,24,27);1-5,10,12H,6-9,11H2,(H,24,27);2-8H,9-12H2,1H3,(H,23,26)
InChIKeyNHDPSWVVXYWPHI-UHFFFAOYSA-N
MW1541.00 g/mol
LogP15.34
Rot. Bonds12

About 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

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 (PubChem CID 159779297) has the molecular formula C77H88Cl3F7N16O4 and a molecular weight of 1541.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159779297
Molecular FormulaC77H88Cl3F7N16O4
Molecular Weight1541.00 g/mol
Exact Mass1538.61
IUPAC NameN-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
SMILESCC(C)(C)c1cccc(CNC(=O)N2CCN(c3ncccc3Cl)CC2)c1.CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCN(c2ncccc2Cl)CC1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(NCc1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H27ClN4O.C20H24ClFN4O.C18H18ClF3N4O.C18H19F3N4O/c1-21(2,3)17-7-4-6-16(14-17)15-24-20(27)26-12-10-25(11-13-26)19-18(22)8-5-9-23-19;1-20(2,14-15-5-7-16(22)8-6-15)24-19(27)26-12-10-25(11-13-26)18-17(21)4-3-9-23-18;19-15-10-14(18(20,21)22)12-23-16(15)25-6-8-26(9-7-25)17(27)24-11-13-4-2-1-3-5-13;1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h4-9,14H,10-13,15H2,1-3H3,(H,24,27);3-9H,10-14H2,1-2H3,(H,24,27);1-5,10,12H,6-9,11H2,(H,24,27);2-8H,9-12H2,1H3,(H,23,26)
InChIKeyNHDPSWVVXYWPHI-UHFFFAOYSA-N
XLogP15.34
TPSA193.88 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.00
LogP ≤ 515.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

(2R)-4-(3-chloropyridin-2-yl)-N-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]phenyl]-2-methylpiperazine-1-carboxamide
CID 10230931
6-[(2R)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-2-N-[4-(trifluoromethyl)phenyl]-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11714269
4,6-bis[4-(3-chloropyridin-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58816441
6-[4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-2-N-[4-(trifluoromethyl)phenyl]-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 73070814
4-(3-chloropyridin-2-yl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-fluoro-4-(3-fluoropyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 87839287
1-(3-chloro-2-pyridinyl)-N-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide;N-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90833833
N-[5-chloro-4-[3-[(5-fluoro-3-pyridinyl)methylamino]phenyl]-2-pyridinyl]-5-[3-[[3-[5-chloro-2-(piperidine-3-carbonylamino)-4-pyridinyl]anilino]methyl]phenyl]piperidine-3-carboxamide
CID 123707581
2-[1-[4-[(Z)-3-[(3S,5S)-4-[7-(2-amino-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-2-propan-2-ylphenyl]-6-chloro-4-[(2S)-4-[(Z)-3-[5-[4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzonitrile
CID 146254472
7-(2-amino-5-chloro-4-pyridinyl)-4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-6-chloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254475
2-chloro-5-(chloromethyl)pyridine;(4S)-3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(4S)-3-(4-chlorophenyl)-1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;(5S)-1-(4-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one;cyclohexane
CID 157401090
7-[2-Amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 157536850
4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(2-amino-2-oxoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157567710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(CNC(=O)N2CCN(c3ncccc3Cl)CC2)c1.CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCN(c2ncccc2Cl)CC1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(NCc1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 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?
The InChIKey is NHDPSWVVXYWPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O.C20H24ClFN4O.C18H18ClF3N4O.C18H19F3N4O/c1-21(2,3)17-7-4-6-16(14-17)15-24-20(27)26-12-10-25(11-13-26)19-18(22)8-5-9-23-19;1-20(2,14-15-5-7-16(22)8-6-15)24-19(27)26-12-10-25(11-13-26)18-17(21)4-3-9-23-18;19-15-10-14(18(20,21)22)12-23-16(15)25-6-8-26(9-7-25)17(27)24-11-13-4-2-1-3-5-13;1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21/h4-9,14H,10-13,15H2,1-3H3,(H,24,27);3-9H,10-14H2,1-2H3,(H,24,27);1-5,10,12H,6-9,11H2,(H,24,27);2-8H,9-12H2,1H3,(H,23,26).
What are the key properties of 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?
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 has a molecular weight of 1541.00 g/mol, XLogP of 15.34, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159779297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).