3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H32ClN3O — CID 120980922

IUPAC3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)C(CC)c1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-3-13-21(18(4-2)17-8-6-5-7-9-17)14-10-19(23)22-15-11-20-12-16-22;/h5-9,18,20H,3-4,10-16H2,1-2H3;1H
InChIKeyHIKWPCSWUGKSJH-UHFFFAOYSA-N
MW353.94 g/mol
LogP3.09
Rot. Bonds8

About 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980922) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980922
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCCN(CCC(=O)N1CCNCC1)C(CC)c1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-3-13-21(18(4-2)17-8-6-5-7-9-17)14-10-19(23)22-15-11-20-12-16-22;/h5-9,18,20H,3-4,10-16H2,1-2H3;1H
InChIKeyHIKWPCSWUGKSJH-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
CID 120980871
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405

Frequently Asked Questions

What is the IUPAC name of 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980922) is 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CCCN(CCC(=O)N1CCNCC1)C(CC)c1ccccc1.Cl.
What is the InChIKey of 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is HIKWPCSWUGKSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-3-13-21(18(4-2)17-8-6-5-7-9-17)14-10-19(23)22-15-11-20-12-16-22;/h5-9,18,20H,3-4,10-16H2,1-2H3;1H.
What are the key properties of 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).