(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one

C15H21NO2 — CID 669843

IUPAC(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12-7-6-10-16(11-12)15(17)13(2)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyKUNCMVZNJCVBNU-QWHCGFSZSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds3

About (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one

(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 669843) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID669843
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12-7-6-10-16(11-12)15(17)13(2)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyKUNCMVZNJCVBNU-QWHCGFSZSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[3-(4-methoxyphenyl)azepan-1-yl]-2-phenoxypropan-1-one
CID 121146998
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
(2R)-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 95736839
2-methyl-5-[1-(2-phenoxypropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541211
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
(2S)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 9235851
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one (CID 669843) is (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one is C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1.
What is the InChIKey of (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is KUNCMVZNJCVBNU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-7-6-10-16(11-12)15(17)13(2)18-14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one?
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 669843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).