3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one

C22H32N4O2 — CID 72897576

IUPAC3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2c(C)cc(C)n(CC)c2=O)C1
InChIInChI=1S/C22H32N4O2/c1-5-7-11-24-13-10-23-20(24)18-9-8-12-25(15-18)21(27)19-16(3)14-17(4)26(6-2)22(19)28/h10,13-14,18H,5-9,11-12,15H2,1-4H3
InChIKeyBZXKRIATKIAEJL-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.50
Rot. Bonds6

About 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one

3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 72897576) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID72897576
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2c(C)cc(C)n(CC)c2=O)C1
InChIInChI=1S/C22H32N4O2/c1-5-7-11-24-13-10-23-20(24)18-9-8-12-25(15-18)21(27)19-16(3)14-17(4)26(6-2)22(19)28/h10,13-14,18H,5-9,11-12,15H2,1-4H3
InChIKeyBZXKRIATKIAEJL-UHFFFAOYSA-N
XLogP3.50
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one with MolForge

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Related Compounds

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
CID 72861491
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 97276128
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 72889190
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one (CID 72897576) is 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one is CCCCn1ccnc1C1CCCN(C(=O)c2c(C)cc(C)n(CC)c2=O)C1.
What is the InChIKey of 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is BZXKRIATKIAEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-7-11-24-13-10-23-20(24)18-9-8-12-25(15-18)21(27)19-16(3)14-17(4)26(6-2)22(19)28/h10,13-14,18H,5-9,11-12,15H2,1-4H3.
What are the key properties of 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one?
3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 384.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 72897576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).