N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide

C17H21ClN2O3 — CID 51092092

IUPACN-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CN1
InChIInChI=1S/C17H21ClN2O3/c18-14-9-12(6-7-15(14)23-13-3-1-2-4-13)20-17(22)11-5-8-16(21)19-10-11/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)(H,20,22)
InChIKeyGGJYPMQDSXTJCN-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.13
Rot. Bonds4

About N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide

N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 51092092) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID51092092
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CN1
InChIInChI=1S/C17H21ClN2O3/c18-14-9-12(6-7-15(14)23-13-3-1-2-4-13)20-17(22)11-5-8-16(21)19-10-11/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)(H,20,22)
InChIKeyGGJYPMQDSXTJCN-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 95279970
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
(3S)-N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 97016732
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-(9H-fluoren-2-yl)-6-oxopiperidine-3-carboxamide
CID 71941186

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide (CID 51092092) is N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CN1.
What is the InChIKey of N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is GGJYPMQDSXTJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-14-9-12(6-7-15(14)23-13-3-1-2-4-13)20-17(22)11-5-8-16(21)19-10-11/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide?
N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 51092092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).