(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone

C15H21N3O — CID 79152622

IUPAC(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
SMILESNc1cccc2c1CCN2C(=O)N1CCCCCC1
InChIInChI=1S/C15H21N3O/c16-13-6-5-7-14-12(13)8-11-18(14)15(19)17-9-3-1-2-4-10-17/h5-7H,1-4,8-11,16H2
InChIKeyOQVAJGUMEXXXGW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds

About (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone

(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone (PubChem CID 79152622) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
PubChem CID79152622
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
SMILESNc1cccc2c1CCN2C(=O)N1CCCCCC1
InChIInChI=1S/C15H21N3O/c16-13-6-5-7-14-12(13)8-11-18(14)15(19)17-9-3-1-2-4-10-17/h5-7H,1-4,8-11,16H2
InChIKeyOQVAJGUMEXXXGW-UHFFFAOYSA-N
XLogP2.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 82707476
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
CID 107653024
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone?
The IUPAC name of (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone (CID 79152622) is (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone is Nc1cccc2c1CCN2C(=O)N1CCCCCC1.
What is the InChIKey of (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone?
The InChIKey is OQVAJGUMEXXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-6-5-7-14-12(13)8-11-18(14)15(19)17-9-3-1-2-4-10-17/h5-7H,1-4,8-11,16H2.
What are the key properties of (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone?
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 79152622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).