1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

C14H18N2O4 — CID 107736891

IUPAC1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCCC(C(=O)O)C1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c1-15(11-4-6-12(17)7-5-11)14(20)16-8-2-3-10(9-16)13(18)19/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyPKJTZTZYLNVAAZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.75
Rot. Bonds2

About 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 107736891) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID107736891
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCCC(C(=O)O)C1)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c1-15(11-4-6-12(17)7-5-11)14(20)16-8-2-3-10(9-16)13(18)19/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyPKJTZTZYLNVAAZ-UHFFFAOYSA-N
XLogP1.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120278
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 107736891) is 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is CN(C(=O)N1CCCC(C(=O)O)C1)c1ccc(O)cc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PKJTZTZYLNVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15(11-4-6-12(17)7-5-11)14(20)16-8-2-3-10(9-16)13(18)19/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 107736891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).