3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one

C12H17N3O — CID 112699998

IUPAC3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
SMILESCc1cccnc1CNC1CCCNC1=O
InChIInChI=1S/C12H17N3O/c1-9-4-2-6-13-11(9)8-15-10-5-3-7-14-12(10)16/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,14,16)
InChIKeyVAIDXHLGAQOICE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.76
Rot. Bonds3

About 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one

3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one (PubChem CID 112699998) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
PubChem CID112699998
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
SMILESCc1cccnc1CNC1CCCNC1=O
InChIInChI=1S/C12H17N3O/c1-9-4-2-6-13-11(9)8-15-10-5-3-7-14-12(10)16/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,14,16)
InChIKeyVAIDXHLGAQOICE-UHFFFAOYSA-N
XLogP0.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108446
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-(pyrimidin-4-ylmethylamino)piperidin-2-one
CID 62748926
(3S)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 129379257
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one (CID 112699998) is 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one is Cc1cccnc1CNC1CCCNC1=O.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The InChIKey is VAIDXHLGAQOICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-2-6-13-11(9)8-15-10-5-3-7-14-12(10)16/h2,4,6,10,15H,3,5,7-8H2,1H3,(H,14,16).
What are the key properties of 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one?
3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one is sourced from PubChem (CID 112699998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).