2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide

C24H27N3O — CID 119826187

IUPAC2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
SMILESCCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCNCC1
InChIInChI=1S/C24H27N3O/c1-2-16-27(19-12-14-25-15-13-19)24(28)21-17-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-11,17,19,25H,2,12-16H2,1H3
InChIKeyLPIRIKGZSCXPJK-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.51
Rot. Bonds5

About 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide

2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide (PubChem CID 119826187) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
PubChem CID119826187
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
SMILESCCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCNCC1
InChIInChI=1S/C24H27N3O/c1-2-16-27(19-12-14-25-15-13-19)24(28)21-17-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-11,17,19,25H,2,12-16H2,1H3
InChIKeyLPIRIKGZSCXPJK-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
3-phenyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-5-carboxamide
CID 119825777
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 75866800
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
CID 160902581
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide (CID 119826187) is 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide is CCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CCNCC1.
What is the InChIKey of 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide?
The InChIKey is LPIRIKGZSCXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-16-27(19-12-14-25-15-13-19)24(28)21-17-23(18-8-4-3-5-9-18)26-22-11-7-6-10-20(21)22/h3-11,17,19,25H,2,12-16H2,1H3.
What are the key properties of 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide?
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 119826187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).