1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid

C14H17NO5 — CID 107702562

IUPAC1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H17NO5/c1-14(13(19)20)2-4-15(5-3-14)12(18)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3,(H,19,20)
InChIKeyCETZPNFZTRBSAJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.42
Rot. Bonds2

About 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid

1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 107702562) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID107702562
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H17NO5/c1-14(13(19)20)2-4-15(5-3-14)12(18)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3,(H,19,20)
InChIKeyCETZPNFZTRBSAJ-UHFFFAOYSA-N
XLogP1.42
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
CID 84582248
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 106500274
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
4-methyl-1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 63123560
(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737645
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107703961
1-(2,5-dibromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 113354342
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid (CID 107702562) is 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is CETZPNFZTRBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(13(19)20)2-4-15(5-3-14)12(18)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 107702562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).