N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C58H65Cl3F6N12O3 — CID 159353015

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/2C20H25ClN4O.C18H15ClF6N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;19-14-2-1-3-26-15(14)28-4-6-29(7-5-28)16(30)27-13-9-11(17(20,21)22)8-12(10-13)18(23,24)25/h4-10H,11-14H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);1-3,8-10H,4-7H2,(H,27,30)
InChIKeyLHOJYEHXZYGCPS-UHFFFAOYSA-N
MW1198.59 g/mol
LogP13.94
Rot. Bonds9

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 159353015) has the molecular formula C58H65Cl3F6N12O3 and a molecular weight of 1198.59 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID159353015
Molecular FormulaC58H65Cl3F6N12O3
Molecular Weight1198.59 g/mol
Exact Mass1196.43
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/2C20H25ClN4O.C18H15ClF6N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;19-14-2-1-3-26-15(14)28-4-6-29(7-5-28)16(30)27-13-9-11(17(20,21)22)8-12(10-13)18(23,24)25/h4-10H,11-14H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);1-3,8-10H,4-7H2,(H,27,30)
InChIKeyLHOJYEHXZYGCPS-UHFFFAOYSA-N
XLogP13.94
TPSA145.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.59
LogP ≤ 513.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
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(2R)-4-(3-chloropyridin-2-yl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide
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4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 10224351
(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
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4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 20720905
2-tert-butyl-4-(3-chloropyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 20720909
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
CID 21037669
4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 159353015) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is LHOJYEHXZYGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H25ClN4O.C18H15ClF6N4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;19-14-2-1-3-26-15(14)28-4-6-29(7-5-28)16(30)27-13-9-11(17(20,21)22)8-12(10-13)18(23,24)25/h4-10H,11-14H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);1-3,8-10H,4-7H2,(H,27,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 1198.59 g/mol, XLogP of 13.94, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 159353015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).