4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid

C13H21F3N2O3 — CID 63227506

IUPAC4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(10(19)20)5-8-18(9-6-12)11(21)17-7-4-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZQHJEQALUZBDEL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.62
Rot. Bonds5

About 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid

4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63227506) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63227506
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(10(19)20)5-8-18(9-6-12)11(21)17-7-4-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyZQHJEQALUZBDEL-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-{1-[(2-Methylpropyl)carbamoyl]piperidin-3-yl}acetic acid
CID 53625439
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 43135809
3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55049325
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 55175146
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
CID 55175147
2-[1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62675207
2-[1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62676469
2-[1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62676644
2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690838
4-Methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123399
4-Methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 63124347

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid (CID 63227506) is 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is ZQHJEQALUZBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-2-3-12(10(19)20)5-8-18(9-6-12)11(21)17-7-4-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).