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

C26H33N5O4 — CID 124995772

IUPAC2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C26H33N5O4/c1-17(2)35-21-9-6-19(7-10-21)24-15-30(18(3)32)12-13-31(24)16-25(33)27-20-8-11-22-23(14-20)29(5)26(34)28(22)4/h6-11,14,17,24H,12-13,15-16H2,1-5H3,(H,27,33)/t24-/m0/s1
InChIKeyQOLFSBXWXQPASV-DEOSSOPVSA-N
MW479.58 g/mol
LogP2.51
Rot. Bonds6

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

2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 124995772) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID124995772
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C26H33N5O4/c1-17(2)35-21-9-6-19(7-10-21)24-15-30(18(3)32)12-13-31(24)16-25(33)27-20-8-11-22-23(14-20)29(5)26(34)28(22)4/h6-11,14,17,24H,12-13,15-16H2,1-5H3,(H,27,33)/t24-/m0/s1
InChIKeyQOLFSBXWXQPASV-DEOSSOPVSA-N
XLogP2.51
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 132773309
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124960017
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124972580
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
2-[4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110122264
2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 125018257
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110151677
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
CID 110109749

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 124995772) is 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is QOLFSBXWXQPASV-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-17(2)35-21-9-6-19(7-10-21)24-15-30(18(3)32)12-13-31(24)16-25(33)27-20-8-11-22-23(14-20)29(5)26(34)28(22)4/h6-11,14,17,24H,12-13,15-16H2,1-5H3,(H,27,33)/t24-/m0/s1.
What are the key properties of 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-acetyl-2-(4-propan-2-yloxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 124995772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).