1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone

C12H17N3O2 — CID 86715621

IUPAC1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2cncn2C)CC1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-5-3-10(4-6-15)12(17)11-7-13-8-14(11)2/h7-8,10H,3-6H2,1-2H3
InChIKeyHHLCTKNYRUNKQG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.86
Rot. Bonds2

About 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone

1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 86715621) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID86715621
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2cncn2C)CC1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-5-3-10(4-6-15)12(17)11-7-13-8-14(11)2/h7-8,10H,3-6H2,1-2H3
InChIKeyHHLCTKNYRUNKQG-UHFFFAOYSA-N
XLogP0.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
CID 82895467
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
CID 122689327
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125157063
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
CID 82895199
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone (CID 86715621) is 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2cncn2C)CC1.
What is the InChIKey of 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is HHLCTKNYRUNKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)15-5-3-10(4-6-15)12(17)11-7-13-8-14(11)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone?
1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86715621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).