1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid

C14H17NO5 — CID 110465982

IUPAC1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1O
InChIInChI=1S/C14H17NO5/c1-20-12-8-10(2-3-11(12)16)13(17)15-6-4-9(5-7-15)14(18)19/h2-3,8-9,16H,4-7H2,1H3,(H,18,19)
InChIKeyVNSXNWKQWWIDQO-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid

1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid (PubChem CID 110465982) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
PubChem CID110465982
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1O
InChIInChI=1S/C14H17NO5/c1-20-12-8-10(2-3-11(12)16)13(17)15-6-4-9(5-7-15)14(18)19/h2-3,8-9,16H,4-7H2,1H3,(H,18,19)
InChIKeyVNSXNWKQWWIDQO-UHFFFAOYSA-N
XLogP1.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
1-(4-bromo-3,5-dimethoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031265
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595
azocan-1-yl-[4-(4-hydroxy-3-methoxyphenyl)phenyl]methanone
CID 118777173
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
1-(3,4-dimethoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119349917

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid (CID 110465982) is 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid is COc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid?
The InChIKey is VNSXNWKQWWIDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-20-12-8-10(2-3-11(12)16)13(17)15-6-4-9(5-7-15)14(18)19/h2-3,8-9,16H,4-7H2,1H3,(H,18,19).
What are the key properties of 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid?
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110465982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).