3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid

C18H24N2O5 — CID 118772644

IUPAC3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-24-14-8-12(7-13(9-14)18(22)23)17(21)19-15-10-25-11-16(15)20-5-3-2-4-6-20/h7-9,15-16H,2-6,10-11H2,1H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1
InChIKeyJDAVSDCLYAPZGQ-HOTGVXAUSA-N
MW348.40 g/mol
LogP1.38
Rot. Bonds5

About 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid

3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid (PubChem CID 118772644) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
PubChem CID118772644
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1
InChIInChI=1S/C18H24N2O5/c1-24-14-8-12(7-13(9-14)18(22)23)17(21)19-15-10-25-11-16(15)20-5-3-2-4-6-20/h7-9,15-16H,2-6,10-11H2,1H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1
InChIKeyJDAVSDCLYAPZGQ-HOTGVXAUSA-N
XLogP1.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid with MolForge

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Related Compounds

acetic acid;4-(2-aminoethoxy)-3-methoxy-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 154903690
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid (CID 118772644) is 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid is COc1cc(C(=O)O)cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1.
What is the InChIKey of 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid?
The InChIKey is JDAVSDCLYAPZGQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-14-8-12(7-13(9-14)18(22)23)17(21)19-15-10-25-11-16(15)20-5-3-2-4-6-20/h7-9,15-16H,2-6,10-11H2,1H3,(H,19,21)(H,22,23)/t15-,16-/m0/s1.
What are the key properties of 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid?
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 118772644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).