1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

C19H34N2O2 — CID 119765244

IUPAC1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(OC2CCCC2)CC1)C1CCCNC1
InChIInChI=1S/C19H34N2O2/c1-15(16-5-4-10-20-14-16)13-19(22)21-11-8-18(9-12-21)23-17-6-2-3-7-17/h15-18,20H,2-14H2,1H3
InChIKeyQXLVJCVGXBILLW-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (PubChem CID 119765244) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
PubChem CID119765244
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(OC2CCCC2)CC1)C1CCCNC1
InChIInChI=1S/C19H34N2O2/c1-15(16-5-4-10-20-14-16)13-19(22)21-11-8-18(9-12-21)23-17-6-2-3-7-17/h15-18,20H,2-14H2,1H3
InChIKeyQXLVJCVGXBILLW-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119796687
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (CID 119765244) is 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1CCC(OC2CCCC2)CC1)C1CCCNC1.
What is the InChIKey of 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The InChIKey is QXLVJCVGXBILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(16-5-4-10-20-14-16)13-19(22)21-11-8-18(9-12-21)23-17-6-2-3-7-17/h15-18,20H,2-14H2,1H3.
What are the key properties of 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one has a molecular weight of 322.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119765244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).