1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one

C20H26N2O — CID 59497091

IUPAC1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H26N2O/c1-2-3-12-22-15-11-19(16-20(22)23)21-13-9-18(10-14-21)17-7-5-4-6-8-17/h4-8,11,15-16,18H,2-3,9-10,12-14H2,1H3
InChIKeyLHAVMEGKQRKJKN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.03
Rot. Bonds5

About 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one

1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one (PubChem CID 59497091) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
PubChem CID59497091
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C20H26N2O/c1-2-3-12-22-15-11-19(16-20(22)23)21-13-9-18(10-14-21)17-7-5-4-6-8-17/h4-8,11,15-16,18H,2-3,9-10,12-14H2,1H3
InChIKeyLHAVMEGKQRKJKN-UHFFFAOYSA-N
XLogP4.03
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 118263353
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
2-butyl-5-phenyldiazinan-1-amine
CID 174328698
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
4-methyl-1-octylpyridin-2-one
CID 116622543
3-[(2,2-difluorocyclopropyl)methyl]-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 138488068
4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
CID 71653729
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one (CID 59497091) is 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one is CCCCn1ccc(N2CCC(c3ccccc3)CC2)cc1=O.
What is the InChIKey of 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The InChIKey is LHAVMEGKQRKJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-3-12-22-15-11-19(16-20(22)23)21-13-9-18(10-14-21)17-7-5-4-6-8-17/h4-8,11,15-16,18H,2-3,9-10,12-14H2,1H3.
What are the key properties of 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one has a molecular weight of 310.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 59497091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).