N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide

C18H25N3O — CID 14809231

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)N1CCc3ccccc31)C2
InChIInChI=1S/C18H25N3O/c1-20-15-6-4-7-16(20)12-14(11-15)19-18(22)21-10-9-13-5-2-3-8-17(13)21/h2-3,5,8,14-16H,4,6-7,9-12H2,1H3,(H,19,22)
InChIKeyPFTQIGIQPHJEPV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.77
Rot. Bonds1

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 14809231) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID14809231
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)N1CCc3ccccc31)C2
InChIInChI=1S/C18H25N3O/c1-20-15-6-4-7-16(20)12-14(11-15)19-18(22)21-10-9-13-5-2-3-8-17(13)21/h2-3,5,8,14-16H,4,6-7,9-12H2,1H3,(H,19,22)
InChIKeyPFTQIGIQPHJEPV-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 67887760
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxamide
CID 167765745
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
CID 10808784
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-1-carboxamide
CID 60603541
N-cyclopentyl-2,3-dihydroindole-1-carbothioamide
CID 19686662

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide (CID 14809231) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide is CN1C2CCCC1CC(NC(=O)N1CCc3ccccc31)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is PFTQIGIQPHJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-15-6-4-7-16(20)12-14(11-15)19-18(22)21-10-9-13-5-2-3-8-17(13)21/h2-3,5,8,14-16H,4,6-7,9-12H2,1H3,(H,19,22).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 14809231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).