N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

C24H29N3O3 — CID 35207173

IUPACN-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-17(2)19-8-10-20(11-9-19)24(30)27-14-12-26(13-15-27)16-23(29)25-22-7-5-4-6-21(22)18(3)28/h4-11,17H,12-16H2,1-3H3,(H,25,29)
InChIKeyZCDWYJATECBZIY-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.41
Rot. Bonds6

About N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 35207173) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID35207173
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H29N3O3/c1-17(2)19-8-10-20(11-9-19)24(30)27-14-12-26(13-15-27)16-23(29)25-22-7-5-4-6-21(22)18(3)28/h4-11,17H,12-16H2,1-3H3,(H,25,29)
InChIKeyZCDWYJATECBZIY-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223352
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide (CID 35207173) is N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is ZCDWYJATECBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(2)19-8-10-20(11-9-19)24(30)27-14-12-26(13-15-27)16-23(29)25-22-7-5-4-6-21(22)18(3)28/h4-11,17H,12-16H2,1-3H3,(H,25,29).
What are the key properties of N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35207173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).