2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride

C15H27Cl3N4O — CID 119903413

IUPAC2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)CN.Cl.Cl.Cl
InChIInChI=1S/C15H24N4O.3ClH/c1-17(15(20)13-16)7-8-18-9-11-19(12-10-18)14-5-3-2-4-6-14;;;/h2-6H,7-13,16H2,1H3;3*1H
InChIKeyCWSNKOBHMXKCNU-UHFFFAOYSA-N
MW385.77 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride

2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride (PubChem CID 119903413) has the molecular formula C15H27Cl3N4O and a molecular weight of 385.77 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
PubChem CID119903413
Molecular FormulaC15H27Cl3N4O
Molecular Weight385.77 g/mol
Exact Mass384.13
IUPAC Name2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)CN.Cl.Cl.Cl
InChIInChI=1S/C15H24N4O.3ClH/c1-17(15(20)13-16)7-8-18-9-11-19(12-10-18)14-5-3-2-4-6-14;;;/h2-6H,7-13,16H2,1H3;3*1H
InChIKeyCWSNKOBHMXKCNU-UHFFFAOYSA-N
XLogP1.49
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119903422
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide;trihydrochloride
CID 120983095
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119554014
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride (CID 119903413) is 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride is CN(CCN1CCN(c2ccccc2)CC1)C(=O)CN.Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride?
The InChIKey is CWSNKOBHMXKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.3ClH/c1-17(15(20)13-16)7-8-18-9-11-19(12-10-18)14-5-3-2-4-6-14;;;/h2-6H,7-13,16H2,1H3;3*1H.
What are the key properties of 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride?
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride has a molecular weight of 385.77 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride is sourced from PubChem (CID 119903413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).