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

C13H21F3N2O3 — CID 63227692

IUPAC3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-2-4-12(10(19)20)5-3-8-18(9-12)11(21)17-7-6-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyRRBNFBKWORBYPU-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.62
Rot. Bonds5

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

3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63227692) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63227692
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-2-4-12(10(19)20)5-3-8-18(9-12)11(21)17-7-6-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyRRBNFBKWORBYPU-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

1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
1-(3-methylbut-2-enylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106191164
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63136658
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid (CID 63227692) is 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is RRBNFBKWORBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-2-4-12(10(19)20)5-3-8-18(9-12)11(21)17-7-6-13(14,15)16/h2-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid?
3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-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 3-propyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63227692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).