N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride

C17H28ClN3O2 — CID 119447728

IUPACN-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
SMILESCc1cc(C)c(OCC(=O)NCCN2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13-10-14(2)17(15(3)11-13)22-12-16(21)19-6-9-20-7-4-18-5-8-20;/h10-11,18H,4-9,12H2,1-3H3,(H,19,21);1H
InChIKeyKKSAVEIUDHOJBX-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.43
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride

N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride (PubChem CID 119447728) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
PubChem CID119447728
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
SMILESCc1cc(C)c(OCC(=O)NCCN2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13-10-14(2)17(15(3)11-13)22-12-16(21)19-6-9-20-7-4-18-5-8-20;/h10-11,18H,4-9,12H2,1-3H3,(H,19,21);1H
InChIKeyKKSAVEIUDHOJBX-UHFFFAOYSA-N
XLogP1.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride (CID 119447728) is N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride is Cc1cc(C)c(OCC(=O)NCCN2CCNCC2)c(C)c1.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
The InChIKey is KKSAVEIUDHOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-13-10-14(2)17(15(3)11-13)22-12-16(21)19-6-9-20-7-4-18-5-8-20;/h10-11,18H,4-9,12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119447728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).