N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide

C22H28N4O — CID 10808784

IUPACN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C22H28N4O/c1-24-13-14-25(15-18-7-3-2-4-8-18)17-20(16-24)23-22(27)26-12-11-19-9-5-6-10-21(19)26/h2-10,20H,11-17H2,1H3,(H,23,27)
InChIKeyICIBNUNHBOTKEP-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.57
Rot. Bonds3

About N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide

N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10808784) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID10808784
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1CCN(Cc2ccccc2)CC(NC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C22H28N4O/c1-24-13-14-25(15-18-7-3-2-4-8-18)17-20(16-24)23-22(27)26-12-11-19-9-5-6-10-21(19)26/h2-10,20H,11-17H2,1H3,(H,23,27)
InChIKeyICIBNUNHBOTKEP-UHFFFAOYSA-N
XLogP2.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
CID 14809231
N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112824331
N-[1-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,4-diazepan-6-yl]acetamide
CID 139640142
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
3-benzyl-N-cyclobutyl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 54671152
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 47744242
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896
5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24737435
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
CID 10670346

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide (CID 10808784) is N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide is CN1CCN(Cc2ccccc2)CC(NC(=O)N2CCc3ccccc32)C1.
What is the InChIKey of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ICIBNUNHBOTKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-13-14-25(15-18-7-3-2-4-8-18)17-20(16-24)23-22(27)26-12-11-19-9-5-6-10-21(19)26/h2-10,20H,11-17H2,1H3,(H,23,27).
What are the key properties of N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide?
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10808784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).