6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid

C20H27N3O3 — CID 142757398

IUPAC6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CNC1C(=O)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O3/c24-18(17-16(19(25)26)13-20(7-8-20)14-21-17)23-10-4-9-22(11-12-23)15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,25,26)
InChIKeyUAJMDKYGBIXZCV-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.57
Rot. Bonds3

About 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid

6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 142757398) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID142757398
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CNC1C(=O)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N3O3/c24-18(17-16(19(25)26)13-20(7-8-20)14-21-17)23-10-4-9-22(11-12-23)15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,25,26)
InChIKeyUAJMDKYGBIXZCV-UHFFFAOYSA-N
XLogP1.57
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-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-carbamoyl-6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
CID 67006673
6-[3-(4-phenoxyphenyl)pyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757402
(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234462
6-[4-(2-methyl-4-nitrophenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757369
6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757401
(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 141117001
N-hydroxy-6-(3-phenylazetidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234646
6-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757396
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
(6S,7S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl)spiro[2.5]octane-7-carboxamide
CID 44583623
N-hydroxy-6-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234655

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid (CID 142757398) is 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid is O=C(O)C1CC2(CC2)CNC1C(=O)N1CCCN(c2ccccc2)CC1.
What is the InChIKey of 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is UAJMDKYGBIXZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(17-16(19(25)26)13-20(7-8-20)14-21-17)23-10-4-9-22(11-12-23)15-5-2-1-3-6-15/h1-3,5-6,16-17,21H,4,7-14H2,(H,25,26).
What are the key properties of 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid?
6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 142757398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).