2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H24N2O — CID 134062617

IUPAC2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCCCCC1
InChIInChI=1S/C17H24N2O/c1-14(18-11-6-2-3-7-12-18)17(20)19-13-10-15-8-4-5-9-16(15)19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyLRMLLAQSYXRCIV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds2

About 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 134062617) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID134062617
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCCCCC1
InChIInChI=1S/C17H24N2O/c1-14(18-11-6-2-3-7-12-18)17(20)19-13-10-15-8-4-5-9-16(15)19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyLRMLLAQSYXRCIV-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 134062617) is 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is LRMLLAQSYXRCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(18-11-6-2-3-7-12-18)17(20)19-13-10-15-8-4-5-9-16(15)19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 134062617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).