2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

C20H30N4O3 — CID 8591460

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15(2)8-9-21-20(27)22-19(26)14-23-10-12-24(13-11-23)18-6-4-17(5-7-18)16(3)25/h4-7,15H,8-14H2,1-3H3,(H2,21,22,26,27)
InChIKeyXRXOYISZQUJWTR-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.88
Rot. Bonds7

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 8591460) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID8591460
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15(2)8-9-21-20(27)22-19(26)14-23-10-12-24(13-11-23)18-6-4-17(5-7-18)16(3)25/h4-7,15H,8-14H2,1-3H3,(H2,21,22,26,27)
InChIKeyXRXOYISZQUJWTR-UHFFFAOYSA-N
XLogP1.88
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8703887
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690332
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703982
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (CID 8591460) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is XRXOYISZQUJWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(2)8-9-21-20(27)22-19(26)14-23-10-12-24(13-11-23)18-6-4-17(5-7-18)16(3)25/h4-7,15H,8-14H2,1-3H3,(H2,21,22,26,27).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 8591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).