4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H21ClN2O2 — CID 138383113

IUPAC4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O2/c1-21-9-6-16(13-18(21)23)15-7-10-22(11-8-15)19(24)12-14-2-4-17(20)5-3-14/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyHGMFKBKTDZDCAD-UHFFFAOYSA-N
MW344.84 g/mol
LogP2.99
Rot. Bonds3

About 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138383113) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138383113
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O2/c1-21-9-6-16(13-18(21)23)15-7-10-22(11-8-15)19(24)12-14-2-4-17(20)5-3-14/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyHGMFKBKTDZDCAD-UHFFFAOYSA-N
XLogP2.99
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138381937
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377733

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138383113) is 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1=O.
What is the InChIKey of 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is HGMFKBKTDZDCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-21-9-6-16(13-18(21)23)15-7-10-22(11-8-15)19(24)12-14-2-4-17(20)5-3-14/h2-6,9,13,15H,7-8,10-12H2,1H3.
What are the key properties of 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 344.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138383113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).