(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H13F3N2O3 — CID 81121037

IUPAC(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C13H13F3N2O3/c14-8-4-10(16)11(5-9(8)15)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyHDGLMCMIIMCGTF-SSDOTTSWSA-N
MW302.25 g/mol
LogP2.43
Rot. Bonds2

About (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81121037) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81121037
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C13H13F3N2O3/c14-8-4-10(16)11(5-9(8)15)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyHDGLMCMIIMCGTF-SSDOTTSWSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3S)-1-[(2,4,6-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119479
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
1-[(5-chloro-2-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122077985

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81121037) is (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)c(F)cc2F)C1.
What is the InChIKey of (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HDGLMCMIIMCGTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-8-4-10(16)11(5-9(8)15)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1.
What are the key properties of (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 302.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81121037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).