1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one

C17H25FN2O — CID 60676626

IUPAC1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
SMILESCC(NC(C)c1ccc(F)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-13(15-7-9-16(18)10-8-15)19-14(2)17(21)20-11-5-3-4-6-12-20/h7-10,13-14,19H,3-6,11-12H2,1-2H3
InChIKeyQLPDJYVYAHDJLP-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.27
Rot. Bonds4

About 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one

1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one (PubChem CID 60676626) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
PubChem CID60676626
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
SMILESCC(NC(C)c1ccc(F)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C17H25FN2O/c1-13(15-7-9-16(18)10-8-15)19-14(2)17(21)20-11-5-3-4-6-12-20/h7-10,13-14,19H,3-6,11-12H2,1-2H3
InChIKeyQLPDJYVYAHDJLP-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-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

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-1-one
CID 81353078
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 63068169
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
(2S)-1-(4-acetylpiperazin-1-yl)-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]propan-1-one
CID 129370471
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one (CID 60676626) is 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one is CC(NC(C)c1ccc(F)cc1)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one?
The InChIKey is QLPDJYVYAHDJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(15-7-9-16(18)10-8-15)19-14(2)17(21)20-11-5-3-4-6-12-20/h7-10,13-14,19H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one?
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one has a molecular weight of 292.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one is sourced from PubChem (CID 60676626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).