2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C13H20N4O — CID 54869774

IUPAC2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c1-14-10-13(18)17-8-6-16(7-9-17)11-12-4-2-3-5-15-12/h2-5,14H,6-11H2,1H3
InChIKeyDOUSKFQWFSAWRQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.05
Rot. Bonds4

About 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 54869774) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID54869774
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c1-14-10-13(18)17-8-6-16(7-9-17)11-12-4-2-3-5-15-12/h2-5,14H,6-11H2,1H3
InChIKeyDOUSKFQWFSAWRQ-UHFFFAOYSA-N
XLogP-0.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 54869774) is 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is CNCC(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is DOUSKFQWFSAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-10-13(18)17-8-6-16(7-9-17)11-12-4-2-3-5-15-12/h2-5,14H,6-11H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of -0.05, 4 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-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 54869774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).