3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H32ClN3O — CID 120980972

IUPAC3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)CN(CCC(=O)N1CCNCC1)CCc1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-17(2)16-21(12-8-18-6-4-3-5-7-18)13-9-19(23)22-14-10-20-11-15-22;/h3-7,17,20H,8-16H2,1-2H3;1H
InChIKeyUMNQIVICASBDFF-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.43
Rot. Bonds8

About 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980972) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980972
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)CN(CCC(=O)N1CCNCC1)CCc1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-17(2)16-21(12-8-18-6-4-3-5-7-18)13-9-19(23)22-14-10-20-11-15-22;/h3-7,17,20H,8-16H2,1-2H3;1H
InChIKeyUMNQIVICASBDFF-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-phenylethyl(prop-2-enyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981237
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
3-[oxolan-3-yl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982162
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980972) is 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(C)CN(CCC(=O)N1CCNCC1)CCc1ccccc1.Cl.
What is the InChIKey of 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is UMNQIVICASBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-17(2)16-21(12-8-18-6-4-3-5-7-18)13-9-19(23)22-14-10-20-11-15-22;/h3-7,17,20H,8-16H2,1-2H3;1H.
What are the key properties of 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).