1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one

C26H32N2O3 — CID 26336843

IUPAC1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CCC2=O)cc1
InChIInChI=1S/C26H32N2O3/c1-31-23-13-11-20(12-14-23)19-28-18-17-27(16-15-24(28)29)26(30)25(22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22,25H,5-6,9-10,15-19H2,1H3/t25-/m1/s1
InChIKeyGKFKFTNYXOGRCT-RUZDIDTESA-N
MW420.55 g/mol
LogP4.23
Rot. Bonds6

About 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one

1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 26336843) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID26336843
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1ccc(CN2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CCC2=O)cc1
InChIInChI=1S/C26H32N2O3/c1-31-23-13-11-20(12-14-23)19-28-18-17-27(16-15-24(28)29)26(30)25(22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22,25H,5-6,9-10,15-19H2,1H3/t25-/m1/s1
InChIKeyGKFKFTNYXOGRCT-RUZDIDTESA-N
XLogP4.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one with MolForge

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Related Compounds

1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45243624
1-(3-cyclopentylpropanoyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26360727
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
CID 26346067
4-[(4-methoxyphenyl)methyl]-1-[2-(2-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 26351285
1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one
CID 26359187
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[2-(4-chloro-2-methylphenoxy)propanoyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45218844
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
4-[(3-fluorophenyl)methyl]-1-(2-methoxy-2-phenylacetyl)-1,4-diazepan-5-one
CID 45182359
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one (CID 26336843) is 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is COc1ccc(CN2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CCC2=O)cc1.
What is the InChIKey of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is GKFKFTNYXOGRCT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H32N2O3/c1-31-23-13-11-20(12-14-23)19-28-18-17-27(16-15-24(28)29)26(30)25(22-9-5-6-10-22)21-7-3-2-4-8-21/h2-4,7-8,11-14,22,25H,5-6,9-10,15-19H2,1H3/t25-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one?
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one has a molecular weight of 420.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 26336843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).