(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C19H22N2O2 — CID 124968475

IUPAC(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-9-4-7-16(13-18)19(22)21-11-5-6-15(14-21)12-17-8-2-3-10-20-17/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJBIQHEKZQZJJQZ-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds4

About (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124968475) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID124968475
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-23-18-9-4-7-16(13-18)19(22)21-11-5-6-15(14-21)12-17-8-2-3-10-20-17/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3/t15-/m1/s1
InChIKeyJBIQHEKZQZJJQZ-OAHLLOKOSA-N
XLogP3.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245494
(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 124996699
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(3-methoxyphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132316
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
(3-fluorophenyl)-[4-methyl-4-[(3R)-3-(pyridin-2-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 124985103
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

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 124968475) is (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JBIQHEKZQZJJQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-9-4-7-16(13-18)19(22)21-11-5-6-15(14-21)12-17-8-2-3-10-20-17/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124968475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).