4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C19H26N4O3 — CID 50779539

IUPAC4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14(24)21-16-4-2-15(3-5-16)19(26)23(17-6-7-17)11-8-18(25)22-12-9-20-10-13-22/h2-5,17,20H,6-13H2,1H3,(H,21,24)
InChIKeyLEXIQEMXJWPFST-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.07
Rot. Bonds6

About 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779539) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779539
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14(24)21-16-4-2-15(3-5-16)19(26)23(17-6-7-17)11-8-18(25)22-12-9-20-10-13-22/h2-5,17,20H,6-13H2,1H3,(H,21,24)
InChIKeyLEXIQEMXJWPFST-UHFFFAOYSA-N
XLogP1.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
4-acetamido-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 92501974
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
4-acetamido-N-[(2-chlorophenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332945
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120980303

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779539) is 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC2)cc1.
What is the InChIKey of 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is LEXIQEMXJWPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(24)21-16-4-2-15(3-5-16)19(26)23(17-6-7-17)11-8-18(25)22-12-9-20-10-13-22/h2-5,17,20H,6-13H2,1H3,(H,21,24).
What are the key properties of 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).