4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide

C19H32N4O — CID 119390940

IUPAC4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C19H32N4O/c1-3-13-23(4-2)18-8-6-17(7-9-18)19(24)21-10-5-14-22-15-11-20-12-16-22/h6-9,20H,3-5,10-16H2,1-2H3,(H,21,24)
InChIKeyHBDNHKPHEWPPFM-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds9

About 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide

4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119390940) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119390940
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C19H32N4O/c1-3-13-23(4-2)18-8-6-17(7-9-18)19(24)21-10-5-14-22-15-11-20-12-16-22/h6-9,20H,3-5,10-16H2,1-2H3,(H,21,24)
InChIKeyHBDNHKPHEWPPFM-UHFFFAOYSA-N
XLogP1.95
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.95
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

4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533737
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide (CID 119390940) is 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide is CCCN(CC)c1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is HBDNHKPHEWPPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-13-23(4-2)18-8-6-17(7-9-18)19(24)21-10-5-14-22-15-11-20-12-16-22/h6-9,20H,3-5,10-16H2,1-2H3,(H,21,24).
What are the key properties of 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide?
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 332.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119390940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).