2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone

C14H21N3O — CID 73439357

IUPAC2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2cccc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-11-5-3-7-13(16-11)12-6-4-8-17(10-12)14(18)9-15-2/h3,5,7,12,15H,4,6,8-10H2,1-2H3
InChIKeyJSQRWVAVNZELBT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.32
Rot. Bonds3

About 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone

2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 73439357) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID73439357
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2cccc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-11-5-3-7-13(16-11)12-6-4-8-17(10-12)14(18)9-15-2/h3,5,7,12,15H,4,6,8-10H2,1-2H3
InChIKeyJSQRWVAVNZELBT-UHFFFAOYSA-N
XLogP1.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one
CID 166143798
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
N-[2-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95816474
3-chloro-1-[3-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 175661425
N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone (CID 73439357) is 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCC(c2cccc(C)n2)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is JSQRWVAVNZELBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-3-7-13(16-11)12-6-4-8-17(10-12)14(18)9-15-2/h3,5,7,12,15H,4,6,8-10H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 73439357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).