2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride

C20H30Cl3N5O — CID 119902893

IUPAC2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride
SMILESCNCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C20H27N5O.3ClH/c1-21-16-20(26)23-18-4-2-3-5-19(18)25-14-12-24(13-15-25)11-8-17-6-9-22-10-7-17;;;/h2-7,9-10,21H,8,11-16H2,1H3,(H,23,26);3*1H
InChIKeyWZOOPJSYGUBBAQ-UHFFFAOYSA-N
MW462.85 g/mol
LogP2.87
Rot. Bonds7

About 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride

2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride (PubChem CID 119902893) has the molecular formula C20H30Cl3N5O and a molecular weight of 462.85 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride
PubChem CID119902893
Molecular FormulaC20H30Cl3N5O
Molecular Weight462.85 g/mol
Exact Mass461.15
IUPAC Name2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride
SMILESCNCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C20H27N5O.3ClH/c1-21-16-20(26)23-18-4-2-3-5-19(18)25-14-12-24(13-15-25)11-8-17-6-9-22-10-7-17;;;/h2-7,9-10,21H,8,11-16H2,1H3,(H,23,26);3*1H
InChIKeyWZOOPJSYGUBBAQ-UHFFFAOYSA-N
XLogP2.87
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
CID 86938276
3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 72684566
3-(3,4-dimethoxyphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 75947138
3-(4-nitrophenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 72684567
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
CID 175652876
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride (CID 119902893) is 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride is CNCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride?
The InChIKey is WZOOPJSYGUBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.3ClH/c1-21-16-20(26)23-18-4-2-3-5-19(18)25-14-12-24(13-15-25)11-8-17-6-9-22-10-7-17;;;/h2-7,9-10,21H,8,11-16H2,1H3,(H,23,26);3*1H.
What are the key properties of 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride?
2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride has a molecular weight of 462.85 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride is sourced from PubChem (CID 119902893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).