1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone

C14H21N3O — CID 83290596

IUPAC1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)Cc2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-12(18)17-9-6-14(7-10-17)16(2)11-13-5-3-4-8-15-13/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyPFOQXGJSGSMVHM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone

1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone (PubChem CID 83290596) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
PubChem CID83290596
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)Cc2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-12(18)17-9-6-14(7-10-17)16(2)11-13-5-3-4-8-15-13/h3-5,8,14H,6-7,9-11H2,1-2H3
InChIKeyPFOQXGJSGSMVHM-UHFFFAOYSA-N
XLogP1.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
CID 129331309
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 129473994
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129002934
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
2-(cyclohexen-1-yl)-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]ethanone
CID 129007494

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone (CID 83290596) is 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)Cc2ccccn2)CC1.
What is the InChIKey of 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is PFOQXGJSGSMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(18)17-9-6-14(7-10-17)16(2)11-13-5-3-4-8-15-13/h3-5,8,14H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone?
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 83290596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).