[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone

C17H24F2N2O — CID 138385310

IUPAC[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCN(CCCCCF)CC1
InChIInChI=1S/C17H24F2N2O/c18-9-2-1-3-10-20-11-4-12-21(14-13-20)17(22)15-5-7-16(19)8-6-15/h5-8H,1-4,9-14H2
InChIKeyQSJHOTXFQAXBPL-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.11
Rot. Bonds6

About [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone

[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone (PubChem CID 138385310) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
PubChem CID138385310
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCN(CCCCCF)CC1
InChIInChI=1S/C17H24F2N2O/c18-9-2-1-3-10-20-11-4-12-21(14-13-20)17(22)15-5-7-16(19)8-6-15/h5-8H,1-4,9-14H2
InChIKeyQSJHOTXFQAXBPL-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(5-fluoropentyl)-1,4-diazepan-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

Related Compounds

2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 43251908
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339
N-(4-bromophenyl)-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide
CID 78896272
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137339403
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637927
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637931

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone (CID 138385310) is [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCN(CCCCCF)CC1.
What is the InChIKey of [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is QSJHOTXFQAXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-9-2-1-3-10-20-11-4-12-21(14-13-20)17(22)15-5-7-16(19)8-6-15/h5-8H,1-4,9-14H2.
What are the key properties of [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone?
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 310.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 138385310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).