1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one

C21H30N2O3 — CID 26360727

IUPAC1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)CCC3CCCC3)CCC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-26-19-9-6-18(7-10-19)16-23-15-14-22(13-12-21(23)25)20(24)11-8-17-4-2-3-5-17/h6-7,9-10,17H,2-5,8,11-16H2,1H3
InChIKeyRJRFIJOALDRXIV-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one

1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 26360727) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID26360727
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)CCC3CCCC3)CCC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-26-19-9-6-18(7-10-19)16-23-15-14-22(13-12-21(23)25)20(24)11-8-17-4-2-3-5-17/h6-7,9-10,17H,2-5,8,11-16H2,1H3
InChIKeyRJRFIJOALDRXIV-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26336843
4-[(4-methoxyphenyl)methyl]-1-[2-(2-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 26351285
1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one
CID 118756176
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
CID 26346067
3-cyclopentyl-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one;oxalic acid
CID 126476702
3-[1-[2-(4-methoxyphenoxy)acetyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42160228
3-cyclopentyl-1-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 30938339
methyl 4-[[7-oxo-4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate
CID 42481434
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (CID 26360727) is 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is COc1ccc(CN2CCN(C(=O)CCC3CCCC3)CCC2=O)cc1.
What is the InChIKey of 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is RJRFIJOALDRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-26-19-9-6-18(7-10-19)16-23-15-14-22(13-12-21(23)25)20(24)11-8-17-4-2-3-5-17/h6-7,9-10,17H,2-5,8,11-16H2,1H3.
What are the key properties of 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 358.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 26360727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).