N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide

C21H25N3O2 — CID 8902773

IUPACN-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(25)19-9-5-6-10-20(19)22-21(26)16-24-13-11-23(12-14-24)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyKPSSDAYTAYRSRE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds6

About N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide

N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide (PubChem CID 8902773) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
PubChem CID8902773
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(25)19-9-5-6-10-20(19)22-21(26)16-24-13-11-23(12-14-24)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyKPSSDAYTAYRSRE-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(2-acetylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126831
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
CID 9391097
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
CID 16618246
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide (CID 8902773) is N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide is CC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide?
The InChIKey is KPSSDAYTAYRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17(25)19-9-5-6-10-20(19)22-21(26)16-24-13-11-23(12-14-24)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3,(H,22,26).
What are the key properties of N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide?
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 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-benzylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8902773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).