4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide

C18H31N3O2 — CID 86803052

IUPAC4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCCN(C(=O)C3CC3)CC2)CC1C
InChIInChI=1S/C18H31N3O2/c1-13-4-7-16(12-14(13)2)19-18(23)21-9-3-8-20(10-11-21)17(22)15-5-6-15/h13-16H,3-12H2,1-2H3,(H,19,23)
InChIKeyIIOJJNSUBMWQAM-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.46
Rot. Bonds2

About 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide (PubChem CID 86803052) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
PubChem CID86803052
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
SMILESCC1CCC(NC(=O)N2CCCN(C(=O)C3CC3)CC2)CC1C
InChIInChI=1S/C18H31N3O2/c1-13-4-7-16(12-14(13)2)19-18(23)21-9-3-8-20(10-11-21)17(22)15-5-6-15/h13-16H,3-12H2,1-2H3,(H,19,23)
InChIKeyIIOJJNSUBMWQAM-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide 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-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide
CID 99635622
cyclopropyl-[4-[(3,4-dimethylcyclohexyl)amino]piperidin-1-yl]methanone
CID 64746197
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
2-[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-3-yl]acetic acid
CID 64742546
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide (CID 86803052) is 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide is CC1CCC(NC(=O)N2CCCN(C(=O)C3CC3)CC2)CC1C.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide?
The InChIKey is IIOJJNSUBMWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13-4-7-16(12-14(13)2)19-18(23)21-9-3-8-20(10-11-21)17(22)15-5-6-15/h13-16H,3-12H2,1-2H3,(H,19,23).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86803052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).