1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one

C16H24N4O2 — CID 118780672

IUPAC1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCN(C2CCCC2)C(=O)C1)n1ccnc1
InChIInChI=1S/C16H24N4O2/c1-13(19-7-6-17-12-19)10-15(21)18-8-9-20(16(22)11-18)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyAVQBURAQQLXQPI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.45
Rot. Bonds4

About 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one

1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one (PubChem CID 118780672) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one
PubChem CID118780672
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCN(C2CCCC2)C(=O)C1)n1ccnc1
InChIInChI=1S/C16H24N4O2/c1-13(19-7-6-17-12-19)10-15(21)18-8-9-20(16(22)11-18)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyAVQBURAQQLXQPI-UHFFFAOYSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one (CID 118780672) is 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one is CC(CC(=O)N1CCN(C2CCCC2)C(=O)C1)n1ccnc1.
What is the InChIKey of 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one?
The InChIKey is AVQBURAQQLXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(19-7-6-17-12-19)10-15(21)18-8-9-20(16(22)11-18)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one?
1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(3-imidazol-1-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 118780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).