3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one

C15H22N2O2 — CID 95845204

IUPAC3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C15H22N2O2/c1-19-10-7-15(18)17-9-4-5-13(12-17)11-14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-/m0/s1
InChIKeySAFFNLJTTWVSRD-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds5

About 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one

3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 95845204) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID95845204
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](Cc2ccccn2)C1
InChIInChI=1S/C15H22N2O2/c1-19-10-7-15(18)17-9-4-5-13(12-17)11-14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-/m0/s1
InChIKeySAFFNLJTTWVSRD-ZDUSSCGKSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one 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

3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3R)-3-[[6-(pyridin-2-ylamino)-2-pyridinyl]methyl]piperidin-1-yl]propan-1-one
CID 95823817
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
3-methoxy-1-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256066
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one (CID 95845204) is 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@@H](Cc2ccccn2)C1.
What is the InChIKey of 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is SAFFNLJTTWVSRD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-10-7-15(18)17-9-4-5-13(12-17)11-14-6-2-3-8-16-14/h2-3,6,8,13H,4-5,7,9-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95845204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).