1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone

C16H22N2O — CID 115105355

IUPAC1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
SMILESO=C(Cc1cccc2c1CCN2)N1CCCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-3-1-2-4-11-18)12-13-6-5-7-15-14(13)8-9-17-15/h5-7,17H,1-4,8-12H2
InChIKeyLXJCECPVMVPNNK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.60
Rot. Bonds2

About 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone

1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone (PubChem CID 115105355) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
PubChem CID115105355
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
SMILESO=C(Cc1cccc2c1CCN2)N1CCCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-3-1-2-4-11-18)12-13-6-5-7-15-14(13)8-9-17-15/h5-7,17H,1-4,8-12H2
InChIKeyLXJCECPVMVPNNK-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-carboxamide
CID 79155006
6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
CID 126805675
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propan-1-one
CID 115104956
2-(2-piperazin-1-ylphenyl)-1-pyrrolidin-1-ylethanone
CID 35752459
3-[3-oxo-7-(2-oxo-2-piperidin-1-ylethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171809534
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
CID 12884237
2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 120848011
2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
CID 67755700
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol
CID 171813583

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone (CID 115105355) is 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone is O=C(Cc1cccc2c1CCN2)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone?
The InChIKey is LXJCECPVMVPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-10-3-1-2-4-11-18)12-13-6-5-7-15-14(13)8-9-17-15/h5-7,17H,1-4,8-12H2.
What are the key properties of 1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone?
1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.60, 2 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-(2,3-dihydro-1H-indol-4-yl)ethanone is sourced from PubChem (CID 115105355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).