1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide

C18H23N3O2 — CID 119260114

IUPAC1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3CC4CCC(C3)N4)ccc21
InChIInChI=1S/C18H23N3O2/c1-11(22)21-7-6-12-8-13(2-5-17(12)21)18(23)20-16-9-14-3-4-15(10-16)19-14/h2,5,8,14-16,19H,3-4,6-7,9-10H2,1H3,(H,20,23)
InChIKeyGIURIYQXQHBHAK-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.61
Rot. Bonds2

About 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 119260114) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID119260114
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3CC4CCC(C3)N4)ccc21
InChIInChI=1S/C18H23N3O2/c1-11(22)21-7-6-12-8-13(2-5-17(12)21)18(23)20-16-9-14-3-4-15(10-16)19-14/h2,5,8,14-16,19H,3-4,6-7,9-10H2,1H3,(H,20,23)
InChIKeyGIURIYQXQHBHAK-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95620460
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434
1-acetyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006613
1-acetyl-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006614

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide (CID 119260114) is 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC3CC4CCC(C3)N4)ccc21.
What is the InChIKey of 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is GIURIYQXQHBHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(22)21-7-6-12-8-13(2-5-17(12)21)18(23)20-16-9-14-3-4-15(10-16)19-14/h2,5,8,14-16,19H,3-4,6-7,9-10H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 119260114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).