N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide

C14H18ClN3O2 — CID 78978988

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H18ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFWMJBLWXOGRTLL-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.87
Rot. Bonds3

About N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 78978988) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID78978988
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H18ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFWMJBLWXOGRTLL-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55358717
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
(3S)-N-(3,5-dichloro-4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 95279970
2,4-difluoro-5-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid
CID 76876658

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide (CID 78978988) is N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is FWMJBLWXOGRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-18(2)12-5-4-10(15)7-11(12)17-14(20)9-3-6-13(19)16-8-9/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78978988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).