3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one

C16H24N2O2 — CID 124973172

IUPAC3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1
InChIInChI=1S/C16H24N2O2/c1-13-5-3-7-15(17-13)11-14-6-4-9-18(12-14)16(19)8-10-20-2/h3,5,7,14H,4,6,8-12H2,1-2H3/t14-/m0/s1
InChIKeyKIIUQZKROPEXNA-AWEZNQCLSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds5

About 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one

3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 124973172) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID124973172
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1
InChIInChI=1S/C16H24N2O2/c1-13-5-3-7-15(17-13)11-14-6-4-9-18(12-14)16(19)8-10-20-2/h3,5,7,14H,4,6,8-12H2,1-2H3/t14-/m0/s1
InChIKeyKIIUQZKROPEXNA-AWEZNQCLSA-N
XLogP2.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
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
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124980946
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124947366
5,5-dimethyl-3-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110103362
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
3-methoxy-1-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256066
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one (CID 124973172) is 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1.
What is the InChIKey of 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is KIIUQZKROPEXNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-5-3-7-15(17-13)11-14-6-4-9-18(12-14)16(19)8-10-20-2/h3,5,7,14H,4,6,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.21, 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-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124973172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).