N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

C16H26ClN3O3 — CID 2901111

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-18-8-10-19(11-9-18)7-6-16(20)17-14-12-13(21-2)4-5-15(14)22-3;/h4-5,12H,6-11H2,1-3H3,(H,17,20);1H
InChIKeyIWSILAREQDIXSQ-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.70
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 2901111) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID2901111
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-18-8-10-19(11-9-18)7-6-16(20)17-14-12-13(21-2)4-5-15(14)22-3;/h4-5,12H,6-11H2,1-3H3,(H,17,20);1H
InChIKeyIWSILAREQDIXSQ-UHFFFAOYSA-N
XLogP1.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (CID 2901111) is N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is COc1ccc(OC)c(NC(=O)CCN2CCN(C)CC2)c1.Cl.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is IWSILAREQDIXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-18-8-10-19(11-9-18)7-6-16(20)17-14-12-13(21-2)4-5-15(14)22-3;/h4-5,12H,6-11H2,1-3H3,(H,17,20);1H.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2901111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).