1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid

C17H21NO5 — CID 95880890

IUPAC1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCOC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H21NO5/c19-15(13-6-11-22-12-13)18-9-7-17(8-10-18,16(20)21)23-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,20,21)/t13-/m1/s1
InChIKeyFPMWVTWFTVEUBU-CYBMUJFWSA-N
MW319.36 g/mol
LogP1.55
Rot. Bonds4

About 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid

1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid (PubChem CID 95880890) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
PubChem CID95880890
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCOC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C17H21NO5/c19-15(13-6-11-22-12-13)18-9-7-17(8-10-18,16(20)21)23-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,20,21)/t13-/m1/s1
InChIKeyFPMWVTWFTVEUBU-CYBMUJFWSA-N
XLogP1.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56887966
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
CID 95862486
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56885721
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 45190006
1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 56919118
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid (CID 95880890) is 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid is O=C([C@@H]1CCOC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid?
The InChIKey is FPMWVTWFTVEUBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO5/c19-15(13-6-11-22-12-13)18-9-7-17(8-10-18,16(20)21)23-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid?
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 95880890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).