4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide

C19H27N3O2 — CID 68550560

IUPAC4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c20-18(23)15-7-9-17(10-8-15)21-11-4-12-22(14-13-21)19(24)16-5-2-1-3-6-16/h7-10,16H,1-6,11-14H2,(H2,20,23)
InChIKeyNZKGERGMGXSRMN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.40
Rot. Bonds3

About 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide

4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide (PubChem CID 68550560) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
PubChem CID68550560
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c20-18(23)15-7-9-17(10-8-15)21-11-4-12-22(14-13-21)19(24)16-5-2-1-3-6-16/h7-10,16H,1-6,11-14H2,(H2,20,23)
InChIKeyNZKGERGMGXSRMN-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735913
4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
CID 98762392
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide?
The IUPAC name of 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide (CID 68550560) is 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide.
What is the SMILES notation for 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide?
The canonical SMILES for 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide is NC(=O)c1ccc(N2CCCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide?
The InChIKey is NZKGERGMGXSRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-18(23)15-7-9-17(10-8-15)21-11-4-12-22(14-13-21)19(24)16-5-2-1-3-6-16/h7-10,16H,1-6,11-14H2,(H2,20,23).
What are the key properties of 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide?
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide is sourced from PubChem (CID 68550560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).