4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H28N2O3 — CID 138377733

IUPAC4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H28N2O3/c1-20-10-7-16(13-17(20)22)14-8-11-21(12-9-14)19(24)18(23)15-5-3-2-4-6-15/h7,10,13-15,18,23H,2-6,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyUTMAETGMKFOWSA-GOSISDBHSA-N
MW332.44 g/mol
LogP2.03
Rot. Bonds3

About 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138377733) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138377733
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O
InChIInChI=1S/C19H28N2O3/c1-20-10-7-16(13-17(20)22)14-8-11-21(12-9-14)19(24)18(23)15-5-3-2-4-6-15/h7,10,13-15,18,23H,2-6,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyUTMAETGMKFOWSA-GOSISDBHSA-N
XLogP2.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 157011165
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011868
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 155493512
1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one
CID 138382467

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138377733) is 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1=O.
What is the InChIKey of 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is UTMAETGMKFOWSA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20-10-7-16(13-17(20)22)14-8-11-21(12-9-14)19(24)18(23)15-5-3-2-4-6-15/h7,10,13-15,18,23H,2-6,8-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 332.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138377733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).