1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one

C15H18N4O2 — CID 95383189

IUPAC1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1=O
InChIInChI=1S/C15H18N4O2/c1-17-8-3-6-13(14(17)20)15(21)18-9-2-5-12(11-18)19-10-4-7-16-19/h3-4,6-8,10,12H,2,5,9,11H2,1H3/t12-/m0/s1
InChIKeyMSNCIZXKLZHYFA-LBPRGKRZSA-N
MW286.33 g/mol
LogP1.06
Rot. Bonds2

About 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one

1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one (PubChem CID 95383189) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
PubChem CID95383189
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1=O
InChIInChI=1S/C15H18N4O2/c1-17-8-3-6-13(14(17)20)15(21)18-9-2-5-12(11-18)19-10-4-7-16-19/h3-4,6-8,10,12H,2,5,9,11H2,1H3/t12-/m0/s1
InChIKeyMSNCIZXKLZHYFA-LBPRGKRZSA-N
XLogP1.06
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95287919
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95274393
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one (CID 95383189) is 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one is Cn1cccc(C(=O)N2CCC[C@H](n3cccn3)C2)c1=O.
What is the InChIKey of 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The InChIKey is MSNCIZXKLZHYFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-8-3-6-13(14(17)20)15(21)18-9-2-5-12(11-18)19-10-4-7-16-19/h3-4,6-8,10,12H,2,5,9,11H2,1H3/t12-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95383189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).