Skip to content

Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone

C16H29N3O — CID 64570539

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACazepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2
InChIKeyUSKBEFLTBQWYCB-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.61
Rot. Bonds2

About Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone

Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 64570539) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound NameAzepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID64570539
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Nameazepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2
InChIKeyUSKBEFLTBQWYCB-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone (CID 64570539) is azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone is O=C(C1CCCCCN1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is USKBEFLTBQWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c20-16(15-8-2-1-5-9-17-15)19-12-10-18(11-13-19)14-6-3-4-7-14/h14-15,17H,1-13H2.
What are the key properties of Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone?
Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 64570539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.