1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one

C15H24N4O — CID 114707108

IUPAC1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cncc1C1CCCN1
InChIInChI=1S/C15H24N4O/c1-12(15(20)18-8-3-2-4-9-18)19-11-16-10-14(19)13-6-5-7-17-13/h10-13,17H,2-9H2,1H3
InChIKeyFRBZDJIYSAZGPZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds3

About 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one

1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one (PubChem CID 114707108) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
PubChem CID114707108
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cncc1C1CCCN1
InChIInChI=1S/C15H24N4O/c1-12(15(20)18-8-3-2-4-9-18)19-11-16-10-14(19)13-6-5-7-17-13/h10-13,17H,2-9H2,1H3
InChIKeyFRBZDJIYSAZGPZ-UHFFFAOYSA-N
XLogP1.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
methyl 3-methyl-2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]butanoate
CID 104942728
1-piperidin-1-yl-2-(5-piperidin-2-ylimidazol-1-yl)ethanone
CID 114707098
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one (CID 114707108) is 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one is CC(C(=O)N1CCCCC1)n1cncc1C1CCCN1.
What is the InChIKey of 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is FRBZDJIYSAZGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(15(20)18-8-3-2-4-9-18)19-11-16-10-14(19)13-6-5-7-17-13/h10-13,17H,2-9H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one?
1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 114707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).