3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid

C14H17NO5 — CID 118929960

IUPAC3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
SMILESCOC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C14H17NO5/c1-19-14(18)15-7-5-11(6-8-15)20-12-4-2-3-10(9-12)13(16)17/h2-4,9,11H,5-8H2,1H3,(H,16,17)
InChIKeyBDSMATQIJCGCEL-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.99
Rot. Bonds3

About 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid

3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid (PubChem CID 118929960) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
PubChem CID118929960
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
SMILESCOC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C14H17NO5/c1-19-14(18)15-7-5-11(6-8-15)20-12-4-2-3-10(9-12)13(16)17/h2-4,9,11H,5-8H2,1H3,(H,16,17)
InChIKeyBDSMATQIJCGCEL-UHFFFAOYSA-N
XLogP1.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
3-(oxan-4-yloxy)benzoic acid
CID 23149060
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
tert-butyl 3-[3-(dimethylcarbamoyl)phenoxy]pyrrolidine-1-carboxylate
CID 176877608
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
1-cyclopropyloxy-3-(1-methoxyethenyl)benzene
CID 70286817

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid?
The IUPAC name of 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid (CID 118929960) is 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid?
The canonical SMILES for 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid is COC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid?
The InChIKey is BDSMATQIJCGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-14(18)15-7-5-11(6-8-15)20-12-4-2-3-10(9-12)13(16)17/h2-4,9,11H,5-8H2,1H3,(H,16,17).
What are the key properties of 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid?
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 118929960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).