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

C15H24ClN3O — CID 2901007

IUPACN-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-13-4-3-5-14(12-13)16-15(19)6-7-18-10-8-17(2)9-11-18;/h3-5,12H,6-11H2,1-2H3,(H,16,19);1H
InChIKeySPYOERMIAJRKTL-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.99
Rot. Bonds4

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

N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 2901007) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID2901007
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-13-4-3-5-14(12-13)16-15(19)6-7-18-10-8-17(2)9-11-18;/h3-5,12H,6-11H2,1-2H3,(H,16,19);1H
InChIKeySPYOERMIAJRKTL-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (CID 2901007) is N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is Cc1cccc(NC(=O)CCN2CCN(C)CC2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is SPYOERMIAJRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-13-4-3-5-14(12-13)16-15(19)6-7-18-10-8-17(2)9-11-18;/h3-5,12H,6-11H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2901007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).