azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone

C15H17FN2O — CID 113206230

IUPACazepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)N1CCCCCC1
InChIInChI=1S/C15H17FN2O/c16-11-5-6-12-13(10-17-14(12)9-11)15(19)18-7-3-1-2-4-8-18/h5-6,9-10,17H,1-4,7-8H2
InChIKeyVZQGGUHNFVFDQT-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.32
Rot. Bonds1

About azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone

azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 113206230) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID113206230
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Nameazepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)N1CCCCCC1
InChIInChI=1S/C15H17FN2O/c16-11-5-6-12-13(10-17-14(12)9-11)15(19)18-7-3-1-2-4-8-18/h5-6,9-10,17H,1-4,7-8H2
InChIKeyVZQGGUHNFVFDQT-UHFFFAOYSA-N
XLogP3.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-cyclopentyl-N-[1-(6-fluoro-1H-indole-3-carbonyl)piperidin-4-yl]acetamide
CID 126779852
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 86878648
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone (CID 113206230) is azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2cc(F)ccc12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is VZQGGUHNFVFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-11-5-6-12-13(10-17-14(12)9-11)15(19)18-7-3-1-2-4-8-18/h5-6,9-10,17H,1-4,7-8H2.
What are the key properties of azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone?
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 260.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 113206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).