1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone

C22H22N2O — CID 12799874

IUPAC1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O/c25-22(13-16-7-6-12-23-15-16)19-14-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,14,16,23H,6-7,12-13,15H2
InChIKeyNZVXORQSGILZID-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone

1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone (PubChem CID 12799874) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
PubChem CID12799874
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H22N2O/c25-22(13-16-7-6-12-23-15-16)19-14-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,14,16,23H,6-7,12-13,15H2
InChIKeyNZVXORQSGILZID-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylazetidin-3-yl)-1-(2-phenylquinolin-4-yl)ethanone
CID 160950285
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone (CID 12799874) is 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone?
The InChIKey is NZVXORQSGILZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(13-16-7-6-12-23-15-16)19-14-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,14,16,23H,6-7,12-13,15H2.
What are the key properties of 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone?
1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone has a molecular weight of 330.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 12799874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).