1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one

C26H32N2O3 — CID 45243624

IUPAC1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1cccc(CN2CCN(C(=O)C(c3ccccc3)C3CCCC3)CCC2=O)c1
InChIInChI=1S/C26H32N2O3/c1-31-23-13-7-8-20(18-23)19-28-17-16-27(15-14-24(28)29)26(30)25(22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22,25H,5-6,11-12,14-17,19H2,1H3
InChIKeyRPZORESJFHXSDC-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.23
Rot. Bonds6

About 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one

1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one (PubChem CID 45243624) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
PubChem CID45243624
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
SMILESCOc1cccc(CN2CCN(C(=O)C(c3ccccc3)C3CCCC3)CCC2=O)c1
InChIInChI=1S/C26H32N2O3/c1-31-23-13-7-8-20(18-23)19-28-17-16-27(15-14-24(28)29)26(30)25(22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22,25H,5-6,11-12,14-17,19H2,1H3
InChIKeyRPZORESJFHXSDC-UHFFFAOYSA-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

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Related Compounds

1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26336843
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
4-[(3-fluorophenyl)methyl]-1-(2-methoxy-2-phenylacetyl)-1,4-diazepan-5-one
CID 45182359
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42275769
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one
CID 26359187
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-[3-(2,4-difluorophenyl)prop-2-enoyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 74501370

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one (CID 45243624) is 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one is COc1cccc(CN2CCN(C(=O)C(c3ccccc3)C3CCCC3)CCC2=O)c1.
What is the InChIKey of 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one?
The InChIKey is RPZORESJFHXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-31-23-13-7-8-20(18-23)19-28-17-16-27(15-14-24(28)29)26(30)25(22-11-5-6-12-22)21-9-3-2-4-10-21/h2-4,7-10,13,18,22,25H,5-6,11-12,14-17,19H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one?
1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-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-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 45243624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).