1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone

C13H18N2O — CID 95841320

IUPAC1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ccnc(C)c2)C1
InChIInChI=1S/C13H18N2O/c1-10-8-12(5-6-14-10)13-4-3-7-15(9-13)11(2)16/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m0/s1
InChIKeyMWCKNCGJZPWQFJ-ZDUSSCGKSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds1

About 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone

1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 95841320) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
PubChem CID95841320
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ccnc(C)c2)C1
InChIInChI=1S/C13H18N2O/c1-10-8-12(5-6-14-10)13-4-3-7-15(9-13)11(2)16/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m0/s1
InChIKeyMWCKNCGJZPWQFJ-ZDUSSCGKSA-N
XLogP2.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
CID 166143852
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 166143876
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110271497
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95730767
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone (CID 95841320) is 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2ccnc(C)c2)C1.
What is the InChIKey of 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is MWCKNCGJZPWQFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-12(5-6-14-10)13-4-3-7-15(9-13)11(2)16/h5-6,8,13H,3-4,7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone?
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95841320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).