4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid

C20H31N3O3 — CID 154914956

IUPAC4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
SMILESCc1ccc(CNC(=O)N2CCCN(C3CCCC3)CC2)cc1.O=CO
InChIInChI=1S/C19H29N3O.CH2O2/c1-16-7-9-17(10-8-16)15-20-19(23)22-12-4-11-21(13-14-22)18-5-2-3-6-18;2-1-3/h7-10,18H,2-6,11-15H2,1H3,(H,20,23);1H,(H,2,3)
InChIKeyCHLFHSUXVLLMJR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.86
Rot. Bonds3

About 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid

4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid (PubChem CID 154914956) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid.

Molecular Properties

Compound Name4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
PubChem CID154914956
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
SMILESCc1ccc(CNC(=O)N2CCCN(C3CCCC3)CC2)cc1.O=CO
InChIInChI=1S/C19H29N3O.CH2O2/c1-16-7-9-17(10-8-16)15-20-19(23)22-12-4-11-21(13-14-22)18-5-2-3-6-18;2-1-3/h7-10,18H,2-6,11-15H2,1H3,(H,20,23);1H,(H,2,3)
InChIKeyCHLFHSUXVLLMJR-UHFFFAOYSA-N
XLogP2.86
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic 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

4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 162628442
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
4-N-[(4-methylphenyl)methyl]-1-N,1-N-diphenyl-1,4-diazepane-1,4-dicarboxamide
CID 23986695
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid?
The IUPAC name of 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid (CID 154914956) is 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid.
What is the SMILES notation for 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid?
The canonical SMILES for 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid is Cc1ccc(CNC(=O)N2CCCN(C3CCCC3)CC2)cc1.O=CO.
What is the InChIKey of 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid?
The InChIKey is CHLFHSUXVLLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.CH2O2/c1-16-7-9-17(10-8-16)15-20-19(23)22-12-4-11-21(13-14-22)18-5-2-3-6-18;2-1-3/h7-10,18H,2-6,11-15H2,1H3,(H,20,23);1H,(H,2,3).
What are the key properties of 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid?
4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid has a molecular weight of 361.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid is sourced from PubChem (CID 154914956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).