1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid

C14H18N2O4 — CID 107737239

IUPAC1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCCC1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4/c1-15(10-5-4-6-11(17)9-10)14(20)16-8-3-2-7-12(16)13(18)19/h4-6,9,12,17H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyDPODEZAJZORTJH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.89
Rot. Bonds2

About 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid

1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 107737239) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID107737239
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCCC1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4/c1-15(10-5-4-6-11(17)9-10)14(20)16-8-3-2-7-12(16)13(18)19/h4-6,9,12,17H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyDPODEZAJZORTJH-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735
1-[(3-hydroxyphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 107737165
(2S)-1-[methyl-(3,4,5-trimethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 70212018
1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid (CID 107737239) is 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid is CN(C(=O)N1CCCCC1C(=O)O)c1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is DPODEZAJZORTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15(10-5-4-6-11(17)9-10)14(20)16-8-3-2-7-12(16)13(18)19/h4-6,9,12,17H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107737239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).