1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone

C15H19N3O — CID 43398194

IUPAC1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyJEAOOJVVTOKESY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds1

About 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone

1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 43398194) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID43398194
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyJEAOOJVVTOKESY-UHFFFAOYSA-N
XLogP1.95
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone (CID 43398194) is 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is JEAOOJVVTOKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3.
What are the key properties of 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone?
1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 43398194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).