[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C18H25FN2O — CID 660928

IUPAC[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)21-13-9-17(10-14-21)20-11-3-1-2-4-12-20/h5-8,17H,1-4,9-14H2
InChIKeyXDUDVNDBPKIHHX-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.31
Rot. Bonds2

About [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 660928) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID660928
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)21-13-9-17(10-14-21)20-11-3-1-2-4-12-20/h5-8,17H,1-4,9-14H2
InChIKeyXDUDVNDBPKIHHX-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)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 [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 660928) is [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is XDUDVNDBPKIHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)21-13-9-17(10-14-21)20-11-3-1-2-4-12-20/h5-8,17H,1-4,9-14H2.
What are the key properties of [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 304.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 660928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).