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

C13H19N3O — CID 95841313

IUPAC1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCNc1cccc([C@H]2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C13H19N3O/c1-10(17)16-8-4-5-11(9-16)12-6-3-7-13(14-2)15-12/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyUKOKTFNQCOEQDO-NSHDSACASA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds2

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

1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95841313) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95841313
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCNc1cccc([C@H]2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C13H19N3O/c1-10(17)16-8-4-5-11(9-16)12-6-3-7-13(14-2)15-12/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyUKOKTFNQCOEQDO-NSHDSACASA-N
XLogP1.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824147
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-pyridinyl]benzoic acid
CID 124967509
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95841313) is 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone is CNc1cccc([C@H]2CCCN(C(C)=O)C2)n1.
What is the InChIKey of 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is UKOKTFNQCOEQDO-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(17)16-8-4-5-11(9-16)12-6-3-7-13(14-2)15-12/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95841313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).