2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide

C19H32N4O — CID 119392036

IUPAC2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCN(CC)C(C(=O)NCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-23(4-2)18(17-9-6-5-7-10-17)19(24)21-11-8-14-22-15-12-20-13-16-22/h5-7,9-10,18,20H,3-4,8,11-16H2,1-2H3,(H,21,24)
InChIKeyQJCIJQFIKZEAJQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.48
Rot. Bonds9

About 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide

2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392036) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392036
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCCN(CC)C(C(=O)NCCCN1CCNCC1)c1ccccc1
InChIInChI=1S/C19H32N4O/c1-3-23(4-2)18(17-9-6-5-7-10-17)19(24)21-11-8-14-22-15-12-20-13-16-22/h5-7,9-10,18,20H,3-4,8,11-16H2,1-2H3,(H,21,24)
InChIKeyQJCIJQFIKZEAJQ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066
3-methyl-2-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391045
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56510564
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-phenyl-N-(2-piperazin-1-ylethyl)pentanamide
CID 119445557
3,4-diphenyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392623
methyl 3-[benzhydryl(3-piperazin-1-ylpropylcarbamoyl)amino]-3-methylbutanoate
CID 70587116
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392036) is 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide is CCN(CC)C(C(=O)NCCCN1CCNCC1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is QJCIJQFIKZEAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-23(4-2)18(17-9-6-5-7-10-17)19(24)21-11-8-14-22-15-12-20-13-16-22/h5-7,9-10,18,20H,3-4,8,11-16H2,1-2H3,(H,21,24).
What are the key properties of 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide?
2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-phenyl-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).