2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide

C17H24N4O2 — CID 119946341

IUPAC2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H24N4O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11,18H2,1H3,(H,19,22)
InChIKeyVZDNGJOMLQBPIJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.69
Rot. Bonds4

About 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 119946341) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID119946341
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2N)CC1
InChIInChI=1S/C17H24N4O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11,18H2,1H3,(H,19,22)
InChIKeyVZDNGJOMLQBPIJ-UHFFFAOYSA-N
XLogP0.69
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
N-cyclopropyl-2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propanamide
CID 46448196
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 51299634
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51299542
N-cyclopropyl-2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]propanamide
CID 86916677
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119944988
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 119946341) is 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)c2ccccc2N)CC1.
What is the InChIKey of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is VZDNGJOMLQBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(16(22)19-13-6-7-13)20-8-10-21(11-9-20)17(23)14-4-2-3-5-15(14)18/h2-5,12-13H,6-11,18H2,1H3,(H,19,22).
What are the key properties of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 119946341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).