5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H24N4O2 — CID 97195512

IUPAC5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H24N4O2/c1-2-3-9-21-11-8-19-17(21)15-5-4-10-22(13-15)18(24)14-6-7-16(23)20-12-14/h6-8,11-12,15H,2-5,9-10,13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyNWTOGWUAWXECMX-HNNXBMFYSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds5

About 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97195512) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97195512
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H24N4O2/c1-2-3-9-21-11-8-19-17(21)15-5-4-10-22(13-15)18(24)14-6-7-16(23)20-12-14/h6-8,11-12,15H,2-5,9-10,13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyNWTOGWUAWXECMX-HNNXBMFYSA-N
XLogP2.39
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 72889190
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 97195512) is 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NWTOGWUAWXECMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-9-21-11-8-19-17(21)15-5-4-10-22(13-15)18(24)14-6-7-16(23)20-12-14/h6-8,11-12,15H,2-5,9-10,13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97195512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).