3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H24N2O3 — CID 97133437

IUPAC3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)=CC[C@]1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21)/t17-/m1/s1
InChIKeyXJKCUCWOGDEWNA-QGZVFWFLSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds4

About 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97133437) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97133437
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)=CC[C@]1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21)/t17-/m1/s1
InChIKeyXJKCUCWOGDEWNA-QGZVFWFLSA-N
XLogP1.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70748709
3-[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 97139078
1-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72907139
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97115250
(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95712790
3-[(4aR,7aS)-1-(3-methylbut-2-enyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-1H-pyridin-2-one
CID 70785906
5-[(3S)-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 97153305
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141575
6-[3-(hydroxymethyl)-3-prop-2-enylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72858085
3-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
CID 110156204

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 97133437) is 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)=CC[C@]1(CO)CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XJKCUCWOGDEWNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)6-8-17(12-20)7-4-10-19(11-17)16(22)14-5-3-9-18-15(14)21/h3,5-6,9,20H,4,7-8,10-12H2,1-2H3,(H,18,21)/t17-/m1/s1.
What are the key properties of 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97133437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).