4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one

C12H16N2O3 — CID 93041213

IUPAC4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@H](O)C2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(15)8-14/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m0/s1
InChIKeySSZANFRKIRBGTO-JTQLQIEISA-N
MW236.27 g/mol
LogP-0.02
Rot. Bonds1

About 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one

4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 93041213) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID93041213
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@H](O)C2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(15)8-14/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m0/s1
InChIKeySSZANFRKIRBGTO-JTQLQIEISA-N
XLogP-0.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 56802221
4-[4-(2-Hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 56803082
4-[[4-(Hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 118741519
4-[4-(Hydroxymethyl)piperidine-1-carbonyl]-1-methyl-1,2-dihydropyridin-2-one
CID 47003370
1-[2-(3-Hydroxypiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 110885020
1-[(3S,4S)-3-hydroxy-1-methylpiperidin-4-yl]-4-methylpyridin-2-one
CID 54488109
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]-3-methylpyridin-2-one
CID 57584091
ethane;[(3R)-3-hydroxypiperidin-1-yl]-(3-methylcyclohexa-1,5-dien-1-yl)methanone
CID 145564138
1-(2-Hydroxypentan-3-yl)-4-methylpyridin-2-one
CID 148305931
1-[(3S)-2-hydroxypentan-3-yl]-4-methylpyridin-2-one
CID 169697497
5-(3-hydroxypiperidine-1-carbonyl)pyridin-2(1H)-one
CID 43415699
(2E,4E)-1-(3-hydroxypiperidin-1-yl)hexa-2,4-dien-1-one
CID 43416823

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one (CID 93041213) is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC[C@H](O)C2)cc1=O.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is SSZANFRKIRBGTO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-6-4-9(7-11(13)16)12(17)14-5-2-3-10(15)8-14/h4,6-7,10,15H,2-3,5,8H2,1H3/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 93041213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).