2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride

C12H19ClN4O — CID 120703285

IUPAC2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-13-10-12(17)16-8-6-15(7-9-16)11-4-2-3-5-14-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyVVQOLCVDIGWKRL-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.37
Rot. Bonds3

About 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride

2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120703285) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120703285
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-13-10-12(17)16-8-6-15(7-9-16)11-4-2-3-5-14-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyVVQOLCVDIGWKRL-UHFFFAOYSA-N
XLogP0.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120703285) is 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride is CNCC(=O)N1CCN(c2ccccn2)CC1.Cl.
What is the InChIKey of 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is VVQOLCVDIGWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c1-13-10-12(17)16-8-6-15(7-9-16)11-4-2-3-5-14-11;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride?
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120703285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).