2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C17H22N4O4 — CID 71871539

IUPAC2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C17H22N4O4/c1-12(2)19-15(23)17(25)21-9-7-20(8-10-21)16(24)13-3-5-14(6-4-13)18-11-22/h3-6,11-12H,7-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyZLQNUYDTUAOFOT-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.06
Rot. Bonds4

About 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 71871539) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID71871539
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C17H22N4O4/c1-12(2)19-15(23)17(25)21-9-7-20(8-10-21)16(24)13-3-5-14(6-4-13)18-11-22/h3-6,11-12H,7-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyZLQNUYDTUAOFOT-UHFFFAOYSA-N
XLogP0.06
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55460890
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503261
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 166205674
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 71871539) is 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(NC=O)cc2)CC1.
What is the InChIKey of 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is ZLQNUYDTUAOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12(2)19-15(23)17(25)21-9-7-20(8-10-21)16(24)13-3-5-14(6-4-13)18-11-22/h3-6,11-12H,7-10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 346.39 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 71871539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).