2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one

C17H30N2O — CID 62612244

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C17H30N2O/c1-14-6-7-17(20)15(12-14)13-18-8-10-19(11-9-18)16-4-2-3-5-16/h14-16H,2-13H2,1H3
InChIKeyGFBOTSDYBOGYOZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.55
Rot. Bonds3

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one

2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one (PubChem CID 62612244) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
PubChem CID62612244
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C17H30N2O/c1-14-6-7-17(20)15(12-14)13-18-8-10-19(11-9-18)16-4-2-3-5-16/h14-16H,2-13H2,1H3
InChIKeyGFBOTSDYBOGYOZ-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one (CID 62612244) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one is CC1CCC(=O)C(CN2CCN(C3CCCC3)CC2)C1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The InChIKey is GFBOTSDYBOGYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14-6-7-17(20)15(12-14)13-18-8-10-19(11-9-18)16-4-2-3-5-16/h14-16H,2-13H2,1H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one has a molecular weight of 278.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62612244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).