2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid

C15H20N2O2 — CID 60993812

IUPAC2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(N2CCCNCC2)Cc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-14(19)15(17-8-3-6-16-7-9-17)10-12-4-1-2-5-13(12)11-15/h1-2,4-5,16H,3,6-11H2,(H,18,19)
InChIKeyLLMLOBZICHOXSC-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.90
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid

2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 60993812) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID60993812
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(N2CCCNCC2)Cc2ccccc2C1
InChIInChI=1S/C15H20N2O2/c18-14(19)15(17-8-3-6-16-7-9-17)10-12-4-1-2-5-13(12)11-15/h1-2,4-5,16H,3,6-11H2,(H,18,19)
InChIKeyLLMLOBZICHOXSC-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid 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

2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
CID 61048443
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 54892289
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
N-[(4-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147777
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
CID 56862053
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147747
N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207371
1-(1,4-diazepan-1-yl)-3-methoxycyclobutane-1-carboxylic acid
CID 106822616

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid (CID 60993812) is 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(N2CCCNCC2)Cc2ccccc2C1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is LLMLOBZICHOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(19)15(17-8-3-6-16-7-9-17)10-12-4-1-2-5-13(12)11-15/h1-2,4-5,16H,3,6-11H2,(H,18,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid?
2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 60993812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).