N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

C21H21ClN4O — CID 16875988

IUPACN-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1Cl
InChIInChI=1S/C21H21ClN4O/c1-14-6-7-16(12-17(14)22)24-21(27)15-8-10-26(11-9-15)20-13-23-18-4-2-3-5-19(18)25-20/h2-7,12-13,15H,8-11H2,1H3,(H,24,27)
InChIKeyROODJIONDSMIBG-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.45
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (PubChem CID 16875988) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
PubChem CID16875988
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1Cl
InChIInChI=1S/C21H21ClN4O/c1-14-6-7-16(12-17(14)22)24-21(27)15-8-10-26(11-9-15)20-13-23-18-4-2-3-5-19(18)25-20/h2-7,12-13,15H,8-11H2,1H3,(H,24,27)
InChIKeyROODJIONDSMIBG-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (CID 16875988) is N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The InChIKey is ROODJIONDSMIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14-6-7-16(12-17(14)22)24-21(27)15-8-10-26(11-9-15)20-13-23-18-4-2-3-5-19(18)25-20/h2-7,12-13,15H,8-11H2,1H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 16875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).