3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride

C16H26ClN3O — CID 24747051

IUPAC3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2cccc(C)c2)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-3-18-9-11-19(12-10-18)8-7-16(20)17-15-6-4-5-14(2)13-15;/h4-6,13H,3,7-12H2,1-2H3,(H,17,20);1H
InChIKeyNTDPSMJORRLUSK-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.38
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride

3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 24747051) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride
PubChem CID24747051
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2cccc(C)c2)CC1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-3-18-9-11-19(12-10-18)8-7-16(20)17-15-6-4-5-14(2)13-15;/h4-6,13H,3,7-12H2,1-2H3,(H,17,20);1H
InChIKeyNTDPSMJORRLUSK-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;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

Fentanyl
CID 3345
Prilocaine
CID 4906
Mepivacaine Hydrochloride
CID 66070
Prilocaine Hydrochloride
CID 92163
3-Methylfentanyl
CID 61996
Levobupivacaine
CID 92253
Ropivacaine
CID 175805
Ropivacaine Hydrochloride
CID 175804
Bupivacaine Hydrochloride
CID 64737
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
CID 621174
alpha-Methylfentanyl
CID 62281
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1), (2S)-
CID 117965

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride (CID 24747051) is 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride is CCN1CCN(CCC(=O)Nc2cccc(C)c2)CC1.Cl.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is NTDPSMJORRLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-3-18-9-11-19(12-10-18)8-7-16(20)17-15-6-4-5-14(2)13-15;/h4-6,13H,3,7-12H2,1-2H3,(H,17,20);1H.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 24747051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).