(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid

C18H20N2O4 — CID 50978543

IUPAC(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1
InChIKeyDHZGCMMBIZZJJV-GOEBONIOSA-N
MW328.37 g/mol
LogP2.28
Rot. Bonds5

About (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid

(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 50978543) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID50978543
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1
InChIKeyDHZGCMMBIZZJJV-GOEBONIOSA-N
XLogP2.28
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxypiperidine-2-carboxylic acid
CID 50949555
(2S,4R)-1-[[2-(benzylamino)pyrimidin-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 131912339
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50981156
(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
CID 42198878
(1S,3S,5S)-5-methyl-2-[2-[(6-phenoxy-3-pyridinyl)methylamino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 175926836
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262
S-[(3R)-5-oxo-1-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidin-3-yl] ethanethioate
CID 87950735
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
2-[[2-[6-[4-(3-hydroxycyclohexyl)oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602156
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 50978543) is (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DHZGCMMBIZZJJV-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 50978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).