N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide

C20H25ClN2O2 — CID 166413024

IUPACN-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C20H25ClN2O2/c1-2-18(24)23-13-5-6-15(14-23)19(25)22-20(11-3-4-12-20)16-7-9-17(21)10-8-16/h2,7-10,15H,1,3-6,11-14H2,(H,22,25)
InChIKeyGCFPTAVEXMEGJO-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.65
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide

N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166413024) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166413024
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C20H25ClN2O2/c1-2-18(24)23-13-5-6-15(14-23)19(25)22-20(11-3-4-12-20)16-7-9-17(21)10-8-16/h2,7-10,15H,1,3-6,11-14H2,(H,22,25)
InChIKeyGCFPTAVEXMEGJO-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411319
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclohexane-1-carboxamide
CID 119766559
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-[1-(4-chlorophenyl)cyclopropyl]pyrrolidine-1-carboxamide
CID 110490806
N-[1-(2,3-difluorophenyl)cyclohexyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166415999
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556
N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide
CID 166420916
(3S)-1-acetyl-N-(1-phenylcyclopentyl)pyrrolidine-3-carboxamide
CID 92633244
N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119565789
1-(4-fluorobenzoyl)-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
CID 51273264
N-(4-carbamoyl-2,3-dihydrochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411352
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166413024) is N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is GCFPTAVEXMEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-2-18(24)23-13-5-6-15(14-23)19(25)22-20(11-3-4-12-20)16-7-9-17(21)10-8-16/h2,7-10,15H,1,3-6,11-14H2,(H,22,25).
What are the key properties of N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide?
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166413024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).