methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate

C20H24N2O2 — CID 52943482

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C20H24N2O2/c1-24-20(23)19(17-9-3-2-4-10-17)18-11-5-6-13-22(18)15-16-8-7-12-21-14-16/h2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3/t18-,19-/m1/s1
InChIKeyNCMGDVQEMNIZAB-RTBURBONSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds5

About methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate (PubChem CID 52943482) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
PubChem CID52943482
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccnc1
InChIInChI=1S/C20H24N2O2/c1-24-20(23)19(17-9-3-2-4-10-17)18-11-5-6-13-22(18)15-16-8-7-12-21-14-16/h2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3/t18-,19-/m1/s1
InChIKeyNCMGDVQEMNIZAB-RTBURBONSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
CID 52945836
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate (CID 52943482) is methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccnc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate?
The InChIKey is NCMGDVQEMNIZAB-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-20(23)19(17-9-3-2-4-10-17)18-11-5-6-13-22(18)15-16-8-7-12-21-14-16/h2-4,7-10,12,14,18-19H,5-6,11,13,15H2,1H3/t18-,19-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate has a molecular weight of 324.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52943482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).