N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride

C17H26ClN3O2 — CID 120573189

IUPACN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-13(2)20(10-9-18-12)17(22)11-16(19-14(3)21)15-7-5-4-6-8-15;/h4-8,12-13,16,18H,9-11H2,1-3H3,(H,19,21);1H
InChIKeyLRVCXEXTDCNUSD-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.88
Rot. Bonds4

About N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride

N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride (PubChem CID 120573189) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
PubChem CID120573189
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-13(2)20(10-9-18-12)17(22)11-16(19-14(3)21)15-7-5-4-6-8-15;/h4-8,12-13,16,18H,9-11H2,1-3H3,(H,19,21);1H
InChIKeyLRVCXEXTDCNUSD-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-4-methyl-3-phenylpentan-1-one
CID 120571964
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
1-(3-hydroxy-2-methylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 123226657
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[(1R)-3-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxo-1-phenylpropyl]acetamide
CID 8949047
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
3-[(2R)-1-[(3R)-3-acetamido-3-phenylpropanoyl]piperidin-2-yl]propanoic acid
CID 124682286
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride (CID 120573189) is N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride is CC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccccc1.Cl.
What is the InChIKey of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride?
The InChIKey is LRVCXEXTDCNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12-13(2)20(10-9-18-12)17(22)11-16(19-14(3)21)15-7-5-4-6-8-15;/h4-8,12-13,16,18H,9-11H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride?
N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 120573189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).