3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C17H22N4O2 — CID 97276988

IUPAC3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyUYIOBXXSNJFBPF-ZDUSSCGKSA-N
MW314.39 g/mol
LogP1.92
Rot. Bonds3

About 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 97276988) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID97276988
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyUYIOBXXSNJFBPF-ZDUSSCGKSA-N
XLogP1.92
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-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

4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 97141939
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563629
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 70738101
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 97276988) is 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is UYIOBXXSNJFBPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-20-10-8-18-15(20)13-5-4-9-21(11-13)17(23)14-7-6-12(2)19-16(14)22/h6-8,10,13H,3-5,9,11H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 97276988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).