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

C18H24N4O2 — CID 97284614

IUPAC3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C18H24N4O2/c1-2-3-10-21-12-9-19-16(21)14-6-5-11-22(13-14)18(24)15-7-4-8-20-17(15)23/h4,7-9,12,14H,2-3,5-6,10-11,13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXZSYBBDJJAXHBA-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds5

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

3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 97284614) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID97284614
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C18H24N4O2/c1-2-3-10-21-12-9-19-16(21)14-6-5-11-22(13-14)18(24)15-7-4-8-20-17(15)23/h4,7-9,12,14H,2-3,5-6,10-11,13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyXZSYBBDJJAXHBA-AWEZNQCLSA-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

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
3-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97190806
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 97200368
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
3-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 97276988
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
[(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 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 97284614) is 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XZSYBBDJJAXHBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-10-21-12-9-19-16(21)14-6-5-11-22(13-14)18(24)15-7-4-8-20-17(15)23/h4,7-9,12,14H,2-3,5-6,10-11,13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[(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 3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 97284614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).