[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H24N4O2 — CID 51286851

IUPAC[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(26)18-14-21-15-24(18)17-6-2-1-3-7-17/h1-3,6-7,14-16H,4-5,8-13H2
InChIKeyOANQYUHUTPEUEU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.35
Rot. Bonds3

About [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51286851) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID51286851
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(26)18-14-21-15-24(18)17-6-2-1-3-7-17/h1-3,6-7,14-16H,4-5,8-13H2
InChIKeyOANQYUHUTPEUEU-UHFFFAOYSA-N
XLogP2.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
1-[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 56816830
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 37294346
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 124691893
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 119664523
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 51286851) is [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncn1-c1ccccc1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OANQYUHUTPEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(22-10-4-5-11-22)16-8-12-23(13-9-16)20(26)18-14-21-15-24(18)17-6-2-1-3-7-17/h1-3,6-7,14-16H,4-5,8-13H2.
What are the key properties of [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51286851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).