1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid

C14H17NO4 — CID 55166833

IUPAC1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H17NO4/c1-14(13(18)19)7-2-8-15(9-14)12(17)10-3-5-11(16)6-4-10/h3-6,16H,2,7-9H2,1H3,(H,18,19)
InChIKeyKGZAHLDFBBIZLO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.72
Rot. Bonds2

About 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid

1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 55166833) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID55166833
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H17NO4/c1-14(13(18)19)7-2-8-15(9-14)12(17)10-3-5-11(16)6-4-10/h3-6,16H,2,7-9H2,1H3,(H,18,19)
InChIKeyKGZAHLDFBBIZLO-UHFFFAOYSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 115867016
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-(4-cyclobutylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120688199

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid (CID 55166833) is 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is KGZAHLDFBBIZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(13(18)19)7-2-8-15(9-14)12(17)10-3-5-11(16)6-4-10/h3-6,16H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55166833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).