3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide

C21H32N4O3 — CID 50779389

IUPAC3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
SMILESCCCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H32N4O3/c1-3-4-5-12-25(13-9-20(27)24-14-10-22-11-15-24)21(28)18-7-6-8-19(16-18)23-17(2)26/h6-8,16,22H,3-5,9-15H2,1-2H3,(H,23,26)
InChIKeyNSYGZXMFSPLDHC-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.10
Rot. Bonds9

About 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide

3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide (PubChem CID 50779389) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
PubChem CID50779389
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
SMILESCCCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H32N4O3/c1-3-4-5-12-25(13-9-20(27)24-14-10-22-11-15-24)21(28)18-7-6-8-19(16-18)23-17(2)26/h6-8,16,22H,3-5,9-15H2,1-2H3,(H,23,26)
InChIKeyNSYGZXMFSPLDHC-UHFFFAOYSA-N
XLogP2.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779385
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
3-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146058421
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146071297
4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
CID 20934235
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide?
The IUPAC name of 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide (CID 50779389) is 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide.
What is the SMILES notation for 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide?
The canonical SMILES for 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide is CCCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide?
The InChIKey is NSYGZXMFSPLDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-4-5-12-25(13-9-20(27)24-14-10-22-11-15-24)21(28)18-7-6-8-19(16-18)23-17(2)26/h6-8,16,22H,3-5,9-15H2,1-2H3,(H,23,26).
What are the key properties of 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide?
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide is sourced from PubChem (CID 50779389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).