2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C24H29N5O4 — CID 124960017

IUPAC2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCOc1ccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCN2C(C)=O)cc1
InChIInChI=1S/C24H29N5O4/c1-16(30)29-12-11-28(14-22(29)17-5-8-19(33-4)9-6-17)15-23(31)25-18-7-10-20-21(13-18)27(3)24(32)26(20)2/h5-10,13,22H,11-12,14-15H2,1-4H3,(H,25,31)/t22-/m0/s1
InChIKeyGROQFWGRNHITKN-QFIPXVFZSA-N
MW451.53 g/mol
LogP1.73
Rot. Bonds5

About 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 124960017) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID124960017
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCOc1ccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCN2C(C)=O)cc1
InChIInChI=1S/C24H29N5O4/c1-16(30)29-12-11-28(14-22(29)17-5-8-19(33-4)9-6-17)15-23(31)25-18-7-10-20-21(13-18)27(3)24(32)26(20)2/h5-10,13,22H,11-12,14-15H2,1-4H3,(H,25,31)/t22-/m0/s1
InChIKeyGROQFWGRNHITKN-QFIPXVFZSA-N
XLogP1.73
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 110122381
2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124995772
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 49295852
2-[(3S,3aS,7aR)-1-acetyl-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-(4-acetamidophenyl)acetamide
CID 110152600
2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 124939525
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110167461
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124966168
2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 132773685
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 124960017) is 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is COc1ccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)CCN2C(C)=O)cc1.
What is the InChIKey of 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is GROQFWGRNHITKN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16(30)29-12-11-28(14-22(29)17-5-8-19(33-4)9-6-17)15-23(31)25-18-7-10-20-21(13-18)27(3)24(32)26(20)2/h5-10,13,22H,11-12,14-15H2,1-4H3,(H,25,31)/t22-/m0/s1.
What are the key properties of 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 451.53 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 124960017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).