3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one

C21H27ClN2O — CID 118263353

IUPAC3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCC(C)CCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C21H27ClN2O/c1-16(2)8-12-24-15-11-19(20(22)21(24)25)23-13-9-18(10-14-23)17-6-4-3-5-7-17/h3-7,11,15-16,18H,8-10,12-14H2,1-2H3
InChIKeyTXYLBLGDEXWYSW-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.93
Rot. Bonds5

About 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one

3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (PubChem CID 118263353) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
PubChem CID118263353
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCC(C)CCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C21H27ClN2O/c1-16(2)8-12-24-15-11-19(20(22)21(24)25)23-13-9-18(10-14-23)17-6-4-3-5-7-17/h3-7,11,15-16,18H,8-10,12-14H2,1-2H3
InChIKeyTXYLBLGDEXWYSW-UHFFFAOYSA-N
XLogP4.93
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(4-phenylpiperidin-1-yl)-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyridin-2-one
CID 162425978
1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
CID 164963597
1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one;3-chloro-1-(cyclopropylmethyl)-4-[4-(fluoromethyl)-4-phenylpiperidin-1-yl]pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
CID 161367350
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 118263406
1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 59497091
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]benzoic acid
CID 141032395
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 78940951
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (CID 118263353) is 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is CC(C)CCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The InChIKey is TXYLBLGDEXWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-16(2)8-12-24-15-11-19(20(22)21(24)25)23-13-9-18(10-14-23)17-6-4-3-5-7-17/h3-7,11,15-16,18H,8-10,12-14H2,1-2H3.
What are the key properties of 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one has a molecular weight of 358.91 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methylbutyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 118263353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).