4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H21ClN2O3 — CID 138381937

IUPAC4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O3/c1-21-7-4-15(12-18(21)24)14-5-8-22(9-6-14)19(25)11-13-2-3-17(23)16(20)10-13/h2-4,7,10,12,14,23H,5-6,8-9,11H2,1H3
InChIKeyYMMZCSDSBKDYOX-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.69
Rot. Bonds3

About 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138381937) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138381937
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1=O
InChIInChI=1S/C19H21ClN2O3/c1-21-7-4-15(12-18(21)24)14-5-8-22(9-6-14)19(25)11-13-2-3-17(23)16(20)10-13/h2-4,7,10,12,14,23H,5-6,8-9,11H2,1H3
InChIKeyYMMZCSDSBKDYOX-UHFFFAOYSA-N
XLogP2.69
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
1-(3-azabicyclo[3.3.1]nonan-3-yl)-2-(3-chloro-4-hydroxyphenyl)ethanone
CID 171153310
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
(3R,4S)-3-benzyl-1-[2-(3-chloro-4-hydroxyphenyl)acetyl]-4-hydroxypiperidine-3-carboxylic acid
CID 166622676
1-[(3R,4S)-1-[2-(3-chloro-4-hydroxyphenyl)acetyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134713858
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 91832085
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 69028590
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138385563

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138381937) is 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1=O.
What is the InChIKey of 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is YMMZCSDSBKDYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-21-7-4-15(12-18(21)24)14-5-8-22(9-6-14)19(25)11-13-2-3-17(23)16(20)10-13/h2-4,7,10,12,14,23H,5-6,8-9,11H2,1H3.
What are the key properties of 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 360.84 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138381937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).