1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one

C16H20N4O2 — CID 95283135

IUPAC1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)c(=O)n1C
InChIInChI=1S/C16H20N4O2/c1-12-6-7-14(15(21)18(12)2)16(22)19-9-3-5-13(11-19)20-10-4-8-17-20/h4,6-8,10,13H,3,5,9,11H2,1-2H3/t13-/m0/s1
InChIKeyTWQPLQBYUYWALV-ZDUSSCGKSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds2

About 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one

1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one (PubChem CID 95283135) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
PubChem CID95283135
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)c(=O)n1C
InChIInChI=1S/C16H20N4O2/c1-12-6-7-14(15(21)18(12)2)16(22)19-9-3-5-13(11-19)20-10-4-8-17-20/h4,6-8,10,13H,3,5,9,11H2,1-2H3/t13-/m0/s1
InChIKeyTWQPLQBYUYWALV-ZDUSSCGKSA-N
XLogP1.37
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434
(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
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
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
[(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

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one (CID 95283135) is 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one is Cc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
The InChIKey is TWQPLQBYUYWALV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-6-7-14(15(21)18(12)2)16(22)19-9-3-5-13(11-19)20-10-4-8-17-20/h4,6-8,10,13H,3,5,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one?
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 95283135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).