N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C29H33ClN4O — CID 45203516

IUPACN-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC(c3ccncc3)c3ccc(Cl)cc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C29H33ClN4O/c30-24-7-5-21(6-8-24)28(22-13-17-31-18-14-22)32-26-15-19-34(20-16-26)27-11-9-25(10-12-27)33-29(35)23-3-1-2-4-23/h5-14,17-18,23,26,28,32H,1-4,15-16,19-20H2,(H,33,35)
InChIKeyWLOMLXCZAOHSIK-UHFFFAOYSA-N
MW489.06 g/mol
LogP6.21
Rot. Bonds7

About N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 45203516) has the molecular formula C29H33ClN4O and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID45203516
Molecular FormulaC29H33ClN4O
Molecular Weight489.06 g/mol
Exact Mass488.23
IUPAC NameN-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NC(c3ccncc3)c3ccc(Cl)cc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C29H33ClN4O/c30-24-7-5-21(6-8-24)28(22-13-17-31-18-14-22)32-26-15-19-34(20-16-26)27-11-9-25(10-12-27)33-29(35)23-3-1-2-4-23/h5-14,17-18,23,26,28,32H,1-4,15-16,19-20H2,(H,33,35)
InChIKeyWLOMLXCZAOHSIK-UHFFFAOYSA-N
XLogP6.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 28666705
N-[4-[4-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45233500
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-[4-[(2,2,2-trifluoro-1-pyridin-2-ylethyl)amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45249951
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42210836
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 45203516) is N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC(NC(c3ccncc3)c3ccc(Cl)cc3)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is WLOMLXCZAOHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O/c30-24-7-5-21(6-8-24)28(22-13-17-31-18-14-22)32-26-15-19-34(20-16-26)27-11-9-25(10-12-27)33-29(35)23-3-1-2-4-23/h5-14,17-18,23,26,28,32H,1-4,15-16,19-20H2,(H,33,35).
What are the key properties of N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 489.06 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 45203516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).