1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one

C13H20N4O — CID 74242720

IUPAC1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ncc[nH]2)CCN1C1CCCC1
InChIInChI=1S/C13H20N4O/c18-13-10-16(9-12-14-5-6-15-12)7-8-17(13)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2,(H,14,15)
InChIKeyZNIGKTYXBIOUNU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds3

About 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one

1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one (PubChem CID 74242720) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one
PubChem CID74242720
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ncc[nH]2)CCN1C1CCCC1
InChIInChI=1S/C13H20N4O/c18-13-10-16(9-12-14-5-6-15-12)7-8-17(13)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2,(H,14,15)
InChIKeyZNIGKTYXBIOUNU-UHFFFAOYSA-N
XLogP1.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one (CID 74242720) is 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one is O=C1CN(Cc2ncc[nH]2)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one?
The InChIKey is ZNIGKTYXBIOUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-10-16(9-12-14-5-6-15-12)7-8-17(13)11-3-1-2-4-11/h5-6,11H,1-4,7-10H2,(H,14,15).
What are the key properties of 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one?
1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(1H-imidazol-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 74242720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).