1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one

C15H21NO2 — CID 10753027

IUPAC1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2cccc(OC)c2)C1
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-9-5-7-13(11-16)12-6-4-8-14(10-12)18-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m0/s1
InChIKeyYQKHBXKOUOXCHI-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds3

About 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one

1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 10753027) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
PubChem CID10753027
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2cccc(OC)c2)C1
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-9-5-7-13(11-16)12-6-4-8-14(10-12)18-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m0/s1
InChIKeyYQKHBXKOUOXCHI-ZDUSSCGKSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
CID 22856997
1-[(3R)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 99963843
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3S)-3-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 66727415
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
CID 139493045
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid
CID 90154939
2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11646898
3-[3-(2-carboxypropan-2-yloxy)phenyl]piperidine-1-carboxylic acid
CID 18448442

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one (CID 10753027) is 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](c2cccc(OC)c2)C1.
What is the InChIKey of 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is YQKHBXKOUOXCHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(17)16-9-5-7-13(11-16)12-6-4-8-14(10-12)18-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 10753027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).