1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone

C15H21N3O — CID 20773361

IUPAC1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
SMILESNc1ccc2c(c1)N(C(=O)CN1CCCCC1)CC2
InChIInChI=1S/C15H21N3O/c16-13-5-4-12-6-9-18(14(12)10-13)15(19)11-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11,16H2
InChIKeyMQMPXORGXWSVMF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds2

About 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone

1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone (PubChem CID 20773361) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
PubChem CID20773361
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
SMILESNc1ccc2c(c1)N(C(=O)CN1CCCCC1)CC2
InChIInChI=1S/C15H21N3O/c16-13-5-4-12-6-9-18(14(12)10-13)15(19)11-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11,16H2
InChIKeyMQMPXORGXWSVMF-UHFFFAOYSA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639
1-(8-amino-5,5-dimethyl-3,4-dihydro-2H-1-benzazepin-1-yl)-2-pyrrolidin-1-ylethanone
CID 67264291
1-(7-amino-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-pyrrolidin-1-ylethanone
CID 67264900
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 28933951
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-piperidin-1-ylpropan-1-one
CID 89190365
1-(6-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205513
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone (CID 20773361) is 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone is Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)CC2.
What is the InChIKey of 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone?
The InChIKey is MQMPXORGXWSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-5-4-12-6-9-18(14(12)10-13)15(19)11-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11,16H2.
What are the key properties of 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone?
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone has a molecular weight of 259.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 20773361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).