3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one

C19H28N2O2 — CID 97200599

IUPAC3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
SMILESCN1CCCC[C@@H]1CCC(=O)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-20-12-6-5-9-17(20)10-11-19(22)21-13-18(14-21)23-15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-/m1/s1
InChIKeyKKEVOPMVKUOGHX-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.68
Rot. Bonds6

About 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one

3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one (PubChem CID 97200599) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
PubChem CID97200599
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
SMILESCN1CCCC[C@@H]1CCC(=O)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-20-12-6-5-9-17(20)10-11-19(22)21-13-18(14-21)23-15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-/m1/s1
InChIKeyKKEVOPMVKUOGHX-QGZVFWFLSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(1-methylpiperidin-2-yl)propan-1-one
CID 136542621
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
CID 166278055
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one (CID 97200599) is 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one is CN1CCCC[C@@H]1CCC(=O)N1CC(OCc2ccccc2)C1.
What is the InChIKey of 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
The InChIKey is KKEVOPMVKUOGHX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20-12-6-5-9-17(20)10-11-19(22)21-13-18(14-21)23-15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one?
3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 97200599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).