3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C16H26ClN3O — CID 120980297

IUPAC3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-2-18(14-15-6-4-3-5-7-15)11-8-16(20)19-12-9-17-10-13-19;/h3-7,17H,2,8-14H2,1H3;1H
InChIKeySVWHJZJLCQDLQL-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.75
Rot. Bonds6

About 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980297) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980297
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-2-18(14-15-6-4-3-5-7-15)11-8-16(20)19-12-9-17-10-13-19;/h3-7,17H,2,8-14H2,1H3;1H
InChIKeySVWHJZJLCQDLQL-UHFFFAOYSA-N
XLogP1.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
3-[(2,6-difluorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981439
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
3-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109023028
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
3-[2-phenylethyl(prop-2-enyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981237
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980297) is 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CCN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is SVWHJZJLCQDLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-2-18(14-15-6-4-3-5-7-15)11-8-16(20)19-12-9-17-10-13-19;/h3-7,17H,2,8-14H2,1H3;1H.
What are the key properties of 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).