cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone

C20H28N2O2 — CID 110797446

IUPACcyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-16-8-10-18(11-9-16)20(24)22-13-5-12-21(14-15-22)19(23)17-6-3-2-4-7-17/h8-11,17H,2-7,12-15H2,1H3
InChIKeyMEJDTURKSUVVFG-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds2

About cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone

cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 110797446) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID110797446
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Namecyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-16-8-10-18(11-9-16)20(24)22-13-5-12-21(14-15-22)19(23)17-6-3-2-4-7-17/h8-11,17H,2-7,12-15H2,1H3
InChIKeyMEJDTURKSUVVFG-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-[4-(4-methylbenzoyl)-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

Related Compounds

cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
4-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672880
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544690

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone (CID 110797446) is cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone is Cc1ccc(C(=O)N2CCCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is MEJDTURKSUVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-8-10-18(11-9-16)20(24)22-13-5-12-21(14-15-22)19(23)17-6-3-2-4-7-17/h8-11,17H,2-7,12-15H2,1H3.
What are the key properties of cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone?
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110797446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).