N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

C24H30ClN3O — CID 42210836

IUPACN-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1)C1CCCC1
InChIInChI=1S/C24H30ClN3O/c25-20-7-3-4-18(16-20)17-26-21-12-14-28(15-13-21)23-10-8-22(9-11-23)27-24(29)19-5-1-2-6-19/h3-4,7-11,16,19,21,26H,1-2,5-6,12-15,17H2,(H,27,29)
InChIKeyYUQYVLYIMLDOTA-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.23
Rot. Bonds6

About N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide

N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 42210836) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
PubChem CID42210836
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC NameN-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1)C1CCCC1
InChIInChI=1S/C24H30ClN3O/c25-20-7-3-4-18(16-20)17-26-21-12-14-28(15-13-21)23-10-8-22(9-11-23)27-24(29)19-5-1-2-6-19/h3-4,7-11,16,19,21,26H,1-2,5-6,12-15,17H2,(H,27,29)
InChIKeyYUQYVLYIMLDOTA-UHFFFAOYSA-N
XLogP5.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100507734
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-[4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 45183357
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
N-[4-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide
CID 42431836
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-[3-[4-[(5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]phenyl]cyclopropanecarboxamide
CID 126465309
2-(3-chlorophenyl)-N-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]acetamide
CID 42429096
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide (CID 42210836) is N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC(NCc3cccc(Cl)c3)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is YUQYVLYIMLDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c25-20-7-3-4-18(16-20)17-26-21-12-14-28(15-13-21)23-10-8-22(9-11-23)27-24(29)19-5-1-2-6-19/h3-4,7-11,16,19,21,26H,1-2,5-6,12-15,17H2,(H,27,29).
What are the key properties of N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide?
N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 411.98 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-chlorophenyl)methylamino]piperidin-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 42210836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).