1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

C25H25N3O2 — CID 26359187

IUPAC1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CCN1Cc1ccncc1
InChIInChI=1S/C25H25N3O2/c29-23-13-16-27(17-18-28(23)19-20-11-14-26-15-12-20)25(30)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2
InChIKeySCXWXGLXXWMXBU-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one (PubChem CID 26359187) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one
PubChem CID26359187
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CCN1Cc1ccncc1
InChIInChI=1S/C25H25N3O2/c29-23-13-16-27(17-18-28(23)19-20-11-14-26-15-12-20)25(30)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2
InChIKeySCXWXGLXXWMXBU-UHFFFAOYSA-N
XLogP3.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.47
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
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(2-cyclopentyl-2-phenylacetyl)-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 45243624
4-[(3-fluorophenyl)methyl]-1-(2-methoxy-2-phenylacetyl)-1,4-diazepan-5-one
CID 45182359
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
4-[(2-fluorophenyl)methyl]-1-[(2S)-2-methoxy-2-phenylacetyl]-1,4-diazepan-5-one
CID 42499592
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one (CID 26359187) is 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CCN1Cc1ccncc1.
What is the InChIKey of 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one?
The InChIKey is SCXWXGLXXWMXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-23-13-16-27(17-18-28(23)19-20-11-14-26-15-12-20)25(30)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,14-15,24H,13,16-19H2.
What are the key properties of 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one?
1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one has a molecular weight of 399.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 26359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).