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

C125H161Cl3N24O6 — CID 158271305

IUPACN-(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
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CC1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)CCN1c1ncccc1Cl.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3C)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C.O=C(NC1Cc2ccccc2C1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/2C22H30N4O.C21H27ClN4O.C21H28N4O.C20H25ClN4O.C19H21ClN4O/c2*1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5;1-15-14-25(12-13-26(15)19-18(22)6-5-11-23-19)20(27)24-17-9-7-16(8-10-17)21(2,3)4;1-3-4-7-18-8-10-19(11-9-18)23-21(26)25-15-13-24(14-16-25)20-17(2)6-5-12-22-20;1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;20-17-6-3-7-21-18(17)23-8-10-24(11-9-23)19(25)22-16-12-14-4-1-2-5-15(14)13-16/h2*6-12,17H,13-15H2,1-5H3,(H,24,27);5-11,15H,12-14H2,1-4H3,(H,24,27);5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);1-7,16H,8-13H2,(H,22,25)/t2*17-;;;;/m10..../s1
InChIKeyGJBIIFABXCYEGQ-BYQNJDFCSA-N
MW2202.18 g/mol
LogP25.06
Rot. Bonds16

About 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

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 (PubChem CID 158271305) has the molecular formula C125H161Cl3N24O6 and a molecular weight of 2202.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158271305
Molecular FormulaC125H161Cl3N24O6
Molecular Weight2202.18 g/mol
Exact Mass2199.21
IUPAC NameN-(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
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CC1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)CCN1c1ncccc1Cl.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3C)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C.O=C(NC1Cc2ccccc2C1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/2C22H30N4O.C21H27ClN4O.C21H28N4O.C20H25ClN4O.C19H21ClN4O/c2*1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5;1-15-14-25(12-13-26(15)19-18(22)6-5-11-23-19)20(27)24-17-9-7-16(8-10-17)21(2,3)4;1-3-4-7-18-8-10-19(11-9-18)23-21(26)25-15-13-24(14-16-25)20-17(2)6-5-12-22-20;1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;20-17-6-3-7-21-18(17)23-8-10-24(11-9-23)19(25)22-16-12-14-4-1-2-5-15(14)13-16/h2*6-12,17H,13-15H2,1-5H3,(H,24,27);5-11,15H,12-14H2,1-4H3,(H,24,27);5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);1-7,16H,8-13H2,(H,22,25)/t2*17-;;;;/m10..../s1
InChIKeyGJBIIFABXCYEGQ-BYQNJDFCSA-N
XLogP25.06
TPSA290.82 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002202.18
LogP ≤ 525.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CC1CN(C(=O)Nc2ccc(C(C)(C)C)cc2)CCN1c1ncccc1Cl.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3C)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H]1C.O=C(NC1Cc2ccccc2C1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 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?
The InChIKey is GJBIIFABXCYEGQ-BYQNJDFCSA-N. The full InChI is InChI=1S/2C22H30N4O.C21H27ClN4O.C21H28N4O.C20H25ClN4O.C19H21ClN4O/c2*1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5;1-15-14-25(12-13-26(15)19-18(22)6-5-11-23-19)20(27)24-17-9-7-16(8-10-17)21(2,3)4;1-3-4-7-18-8-10-19(11-9-18)23-21(26)25-15-13-24(14-16-25)20-17(2)6-5-12-22-20;1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;20-17-6-3-7-21-18(17)23-8-10-24(11-9-23)19(25)22-16-12-14-4-1-2-5-15(14)13-16/h2*6-12,17H,13-15H2,1-5H3,(H,24,27);5-11,15H,12-14H2,1-4H3,(H,24,27);5-6,8-12H,3-4,7,13-16H2,1-2H3,(H,23,26);4-10,14-15H,11-13H2,1-3H3,(H,23,26);1-7,16H,8-13H2,(H,22,25)/t2*17-;;;;/m10..../s1.
What are the key properties of 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?
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 has a molecular weight of 2202.18 g/mol, XLogP of 25.06, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158271305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).