1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

C15H17F3N2O3 — CID 122086831

IUPAC1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-11(15(16,17)18)3-2-4-12(9)19-14(23)20-7-5-10(6-8-20)13(21)22/h2-4,10H,5-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyIIHXBIFRCXNWLG-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.34
Rot. Bonds2

About 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122086831) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122086831
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-11(15(16,17)18)3-2-4-12(9)19-14(23)20-7-5-10(6-8-20)13(21)22/h2-4,10H,5-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyIIHXBIFRCXNWLG-UHFFFAOYSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-cyano-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087279
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
1-[[5-chloro-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093315
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122086831) is 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is Cc1c(NC(=O)N2CCC(C(=O)O)CC2)cccc1C(F)(F)F.
What is the InChIKey of 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IIHXBIFRCXNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9-11(15(16,17)18)3-2-4-12(9)19-14(23)20-7-5-10(6-8-20)13(21)22/h2-4,10H,5-8H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 330.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122086831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).