3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one

C14H22N4O — CID 55085672

IUPAC3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccccn1
InChIInChI=1S/C14H22N4O/c1-17(12-13-4-2-3-6-16-13)9-5-14(19)18-10-7-15-8-11-18/h2-4,6,15H,5,7-12H2,1H3
InChIKeyFEVWVSMASDTARQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.34
Rot. Bonds5

About 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one

3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 55085672) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID55085672
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccccn1
InChIInChI=1S/C14H22N4O/c1-17(12-13-4-2-3-6-16-13)9-5-14(19)18-10-7-15-8-11-18/h2-4,6,15H,5,7-12H2,1H3
InChIKeyFEVWVSMASDTARQ-UHFFFAOYSA-N
XLogP0.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556
3-[(3-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982668
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 43565765
1-piperazin-1-yl-3-(pyridin-2-ylmethylsulfanyl)propan-1-one
CID 119403304
3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 175652345
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 110108763
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 55085672) is 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one is CN(CCC(=O)N1CCNCC1)Cc1ccccn1.
What is the InChIKey of 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is FEVWVSMASDTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(12-13-4-2-3-6-16-13)9-5-14(19)18-10-7-15-8-11-18/h2-4,6,15H,5,7-12H2,1H3.
What are the key properties of 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 262.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 55085672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).