1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

C25H31N3O4 — CID 71305184

IUPAC1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCN(C)CC3)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H31N3O4/c1-26-13-4-14-27(16-15-26)25(30)22-17-23(29)28(19-7-11-21(32-3)12-8-19)24(22)18-5-9-20(31-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3
InChIKeyXNKKBRRTPVBLSJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.96
Rot. Bonds5

About 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 71305184) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID71305184
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCCN(C)CC3)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H31N3O4/c1-26-13-4-14-27(16-15-26)25(30)22-17-23(29)28(19-7-11-21(32-3)12-8-19)24(22)18-5-9-20(31-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3
InChIKeyXNKKBRRTPVBLSJ-UHFFFAOYSA-N
XLogP2.96
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-bis(4-methoxyphenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 22422436
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028
(5R,6S)-5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,6-bis(4-methoxyphenyl)piperidin-2-one
CID 41207711
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
1-butyl-4-(1,4-diazepane-1-carbonyl)-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 119414839
(4R,5R)-1-butyl-5-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 30890050
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
(5S,6R)-6-(4-methoxyphenyl)-1-methyl-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 95740299

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (CID 71305184) is 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is COc1ccc(C2C(C(=O)N3CCCN(C)CC3)CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is XNKKBRRTPVBLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-26-13-4-14-27(16-15-26)25(30)22-17-23(29)28(19-7-11-21(32-3)12-8-19)24(22)18-5-9-20(31-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3.
What are the key properties of 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methoxyphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71305184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).