1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid

C18H26N2O4 — CID 56907445

IUPAC1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C[C@@H]2CC[C@H](CN3CCC(C(=O)O)CC3)O2)cn1
InChIInChI=1S/C18H26N2O4/c1-23-17-5-2-13(11-19-17)10-15-3-4-16(24-15)12-20-8-6-14(7-9-20)18(21)22/h2,5,11,14-16H,3-4,6-10,12H2,1H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyXNWFOQWDQZPTEV-JKSUJKDBSA-N
MW334.42 g/mol
LogP1.98
Rot. Bonds6

About 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid

1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 56907445) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID56907445
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C[C@@H]2CC[C@H](CN3CCC(C(=O)O)CC3)O2)cn1
InChIInChI=1S/C18H26N2O4/c1-23-17-5-2-13(11-19-17)10-15-3-4-16(24-15)12-20-8-6-14(7-9-20)18(21)22/h2,5,11,14-16H,3-4,6-10,12H2,1H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyXNWFOQWDQZPTEV-JKSUJKDBSA-N
XLogP1.98
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[[(2S,5R)-5-(1,3-benzodioxol-5-ylmethyl)oxolan-2-yl]methyl]piperidine-4-carboxylic acid
CID 133113844
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
CID 58723260
2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 86050913
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
methyl 1-[N-[(6-methoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252237
2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114937577
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid (CID 56907445) is 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid is COc1ccc(C[C@@H]2CC[C@H](CN3CCC(C(=O)O)CC3)O2)cn1.
What is the InChIKey of 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is XNWFOQWDQZPTEV-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-17-5-2-13(11-19-17)10-15-3-4-16(24-15)12-20-8-6-14(7-9-20)18(21)22/h2,5,11,14-16H,3-4,6-10,12H2,1H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56907445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).