1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone

C33H32N2O2 — CID 5069183

IUPAC1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N2O2/c36-32(30(26-14-5-1-6-15-26)27-16-7-2-8-17-27)34-22-13-23-35(25-24-34)33(37)31(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2
InChIKeyFGUMVSKBVQBDPT-UHFFFAOYSA-N
MW488.63 g/mol
LogP5.71
Rot. Bonds6

About 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone

1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone (PubChem CID 5069183) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
PubChem CID5069183
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC Name1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N2O2/c36-32(30(26-14-5-1-6-15-26)27-16-7-2-8-17-27)34-22-13-23-35(25-24-34)33(37)31(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2
InChIKeyFGUMVSKBVQBDPT-UHFFFAOYSA-N
XLogP5.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108544395
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 78849819
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 23907830
1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 17110283
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone (CID 5069183) is 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone?
The InChIKey is FGUMVSKBVQBDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c36-32(30(26-14-5-1-6-15-26)27-16-7-2-8-17-27)34-22-13-23-35(25-24-34)33(37)31(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2.
What are the key properties of 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone?
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone has a molecular weight of 488.63 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 5069183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).