(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

C18H21F3N2O3 — CID 56875122

IUPAC(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](C(=O)NC2CC2)CN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-3-1-2-11(6-14)8-23-9-12(7-13(10-23)17(25)26)16(24)22-15-4-5-15/h1-3,6,12-13,15H,4-5,7-10H2,(H,22,24)(H,25,26)/t12-,13-/m0/s1
InChIKeyUDVWBTBRONZITN-STQMWFEESA-N
MW370.37 g/mol
LogP2.51
Rot. Bonds5

About (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 56875122) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID56875122
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](C(=O)NC2CC2)CN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-3-1-2-11(6-14)8-23-9-12(7-13(10-23)17(25)26)16(24)22-15-4-5-15/h1-3,6,12-13,15H,4-5,7-10H2,(H,22,24)(H,25,26)/t12-,13-/m0/s1
InChIKeyUDVWBTBRONZITN-STQMWFEESA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-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-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
1-cyclopropyl-N-[2-fluoro-5-(trifluoromethyl)benzyl]-6-oxo-3-piperidinecarboxamide
CID 24791753
1-cyclopropyl-N-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24818881
1-cycloheptyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793851
N-(oxan-4-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24794041
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817290
N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817063
1-cycloheptyl-N-[2-fluoro-5-(trifluoromethyl)benzyl]-6-oxo-3-piperidinecarboxamide
CID 24791952
1-cyclopropyl-6-oxo-N-{2-[3-(trifluoromethyl)phenyl]ethyl}-3-piperidinecarboxamide
CID 24793176
1-(cyclopropanecarbonyl)-N-ethyl-6-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 46065131

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid (CID 56875122) is (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1C[C@H](C(=O)NC2CC2)CN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is UDVWBTBRONZITN-STQMWFEESA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)14-3-1-2-11(6-14)8-23-9-12(7-13(10-23)17(25)26)16(24)22-15-4-5-15/h1-3,6,12-13,15H,4-5,7-10H2,(H,22,24)(H,25,26)/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid?
(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 370.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(cyclopropylcarbamoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56875122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).