N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide

C22H26N4O3 — CID 51043444

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-17(27)19-8-5-9-20(14-19)24-21(28)15-23-22(29)26-12-10-25(11-13-26)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,29)(H,24,28)
InChIKeyJLBXTDKIPBOAJG-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide

N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide (PubChem CID 51043444) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
PubChem CID51043444
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-17(27)19-8-5-9-20(14-19)24-21(28)15-23-22(29)26-12-10-25(11-13-26)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,29)(H,24,28)
InChIKeyJLBXTDKIPBOAJG-UHFFFAOYSA-N
XLogP2.36
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55647563
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
methyl 3-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107903
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
CID 45214467
3-[[3-[[2-[(4-phenylmethoxycarbonylpiperazine-1-carbonyl)amino]acetyl]amino]benzoyl]amino]propanoic acid
CID 57271056
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide (CID 51043444) is N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide is CC(=O)c1cccc(NC(=O)CNC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide?
The InChIKey is JLBXTDKIPBOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-17(27)19-8-5-9-20(14-19)24-21(28)15-23-22(29)26-12-10-25(11-13-26)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,29)(H,24,28).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide is sourced from PubChem (CID 51043444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).