(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid

C19H25NO5 — CID 167846485

IUPAC(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-24-12-13-2-4-15(5-3-13)18(21)20-10-8-14(9-11-20)16-6-7-17(25-16)19(22)23/h2-5,14,16-17H,6-12H2,1H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyGXTKSVZVYKHFCK-DLBZAZTESA-N
MW347.41 g/mol
LogP2.32
Rot. Bonds5

About (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 167846485) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid
PubChem CID167846485
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid
SMILESCOCc1ccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-24-12-13-2-4-15(5-3-13)18(21)20-10-8-14(9-11-20)16-6-7-17(25-16)19(22)23/h2-5,14,16-17H,6-12H2,1H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyGXTKSVZVYKHFCK-DLBZAZTESA-N
XLogP2.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methoxymethyl)phenyl]-[(1S,7S)-7-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 100636286
(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid
CID 154768065
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120656789
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
(4aS,8aR)-6-[4-(methoxymethyl)benzoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135744
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid (CID 167846485) is (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid is COCc1ccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1.
What is the InChIKey of (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The InChIKey is GXTKSVZVYKHFCK-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25NO5/c1-24-12-13-2-4-15(5-3-13)18(21)20-10-8-14(9-11-20)16-6-7-17(25-16)19(22)23/h2-5,14,16-17H,6-12H2,1H3,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 167846485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).