1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

C12H19F3N2O3 — CID 61607356

IUPAC1-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCCC(C1)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-2-5-17(8-12(13,14)15)11(20)16-6-3-4-9(7-16)10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyOGUWEZUSUQGFFW-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.80
Rot. Bonds4

About 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 61607356) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID61607356
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCCC(C1)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-2-5-17(8-12(13,14)15)11(20)16-6-3-4-9(7-16)10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyOGUWEZUSUQGFFW-UHFFFAOYSA-N
XLogP1.80
TPSA60.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity360

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]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-(Dimethylcarbamoyl)piperidine-3-carboxylic acid
CID 3470698
1-Carbamoylpiperidine-3-carboxylic acid
CID 16226767
1-[(Tert-butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 66521743
1-[(Tert-butoxy)carbonyl]-4,4-difluoropiperidine-3-carboxylic acid
CID 72207349
1,3-Piperidinedicarboxylic acid, 5-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
CID 126970290
1-(Pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 42958594
6-Oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 62302752
1-(2,2-Difluoro-4-methylpentanoyl)piperidine-3-carboxylic acid
CID 57700704
3-Methoxycarbonyl-5-(trifluoromethyl)piperidine-1-carboxylic acid
CID 67034563
1-(2,2-Difluorobutanoyl)piperidine-3-carboxylic acid
CID 68248732
(3R)-1-[(tert-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 86328943
(3S)-1-[(tert-Butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 86328945

Frequently Asked Questions

What is the IUPAC name of 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (CID 61607356) is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is CCCN(CC(F)(F)F)C(=O)N1CCCC(C1)C(=O)O.
What is the InChIKey of 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is OGUWEZUSUQGFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-5-17(8-12(13,14)15)11(20)16-6-3-4-9(7-16)10(18)19/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61607356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).