(3-anilinopiperidin-1-yl)-cyclopentylmethanone

C17H24N2O — CID 24819325

IUPAC(3-anilinopiperidin-1-yl)-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C17H24N2O/c20-17(14-7-4-5-8-14)19-12-6-11-16(13-19)18-15-9-2-1-3-10-15/h1-3,9-10,14,16,18H,4-8,11-13H2
InChIKeyCZJHYMQGSVQPSR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.28
Rot. Bonds3

About (3-anilinopiperidin-1-yl)-cyclopentylmethanone

(3-anilinopiperidin-1-yl)-cyclopentylmethanone (PubChem CID 24819325) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-anilinopiperidin-1-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-anilinopiperidin-1-yl)-cyclopentylmethanone
PubChem CID24819325
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3-anilinopiperidin-1-yl)-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C17H24N2O/c20-17(14-7-4-5-8-14)19-12-6-11-16(13-19)18-15-9-2-1-3-10-15/h1-3,9-10,14,16,18H,4-8,11-13H2
InChIKeyCZJHYMQGSVQPSR-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-anilinopiperidin-1-yl)-cyclopentylmethanone?
The IUPAC name of (3-anilinopiperidin-1-yl)-cyclopentylmethanone (CID 24819325) is (3-anilinopiperidin-1-yl)-cyclopentylmethanone.
What is the SMILES notation for (3-anilinopiperidin-1-yl)-cyclopentylmethanone?
The canonical SMILES for (3-anilinopiperidin-1-yl)-cyclopentylmethanone is O=C(C1CCCC1)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopiperidin-1-yl)-cyclopentylmethanone?
The InChIKey is CZJHYMQGSVQPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(14-7-4-5-8-14)19-12-6-11-16(13-19)18-15-9-2-1-3-10-15/h1-3,9-10,14,16,18H,4-8,11-13H2.
What are the key properties of (3-anilinopiperidin-1-yl)-cyclopentylmethanone?
(3-anilinopiperidin-1-yl)-cyclopentylmethanone has a molecular weight of 272.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopiperidin-1-yl)-cyclopentylmethanone is sourced from PubChem (CID 24819325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).