cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone

C20H28N2O4 — CID 110807480

IUPACcyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-16-8-9-18(26-2)17(14-16)20(24)22-11-5-10-21(12-13-22)19(23)15-6-3-4-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyWBHHGRGYHWKIKG-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.57
Rot. Bonds4

About cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone

cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 110807480) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID110807480
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namecyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-16-8-9-18(26-2)17(14-16)20(24)22-11-5-10-21(12-13-22)19(23)15-6-3-4-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyWBHHGRGYHWKIKG-UHFFFAOYSA-N
XLogP2.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918037
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone (CID 110807480) is cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CCCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is WBHHGRGYHWKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-16-8-9-18(26-2)17(14-16)20(24)22-11-5-10-21(12-13-22)19(23)15-6-3-4-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3.
What are the key properties of cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone?
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 360.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110807480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).