N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride

C15H24ClN3O — CID 120905888

IUPACN-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CC(C)NCC2C)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11-9-18(12(2)8-16-11)10-14-4-6-15(7-5-14)17-13(3)19;/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19);1H
InChIKeyBFZWXAYRJNFLPA-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.25
Rot. Bonds3

About N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride

N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride (PubChem CID 120905888) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
PubChem CID120905888
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CC(C)NCC2C)cc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11-9-18(12(2)8-16-11)10-14-4-6-15(7-5-14)17-13(3)19;/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19);1H
InChIKeyBFZWXAYRJNFLPA-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride (CID 120905888) is N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CN2CC(C)NCC2C)cc1.Cl.
What is the InChIKey of N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride?
The InChIKey is BFZWXAYRJNFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-11-9-18(12(2)8-16-11)10-14-4-6-15(7-5-14)17-13(3)19;/h4-7,11-12,16H,8-10H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride?
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120905888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).