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

C12H19F3N2O3 — CID 63227736

IUPAC4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(9(18)19)4-7-17(8-5-11)10(20)16-6-3-12(13,14)15/h2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCRFCBVAZVHFVAQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.23
Rot. Bonds4

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

4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63227736) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63227736
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(9(18)19)4-7-17(8-5-11)10(20)16-6-3-12(13,14)15/h2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCRFCBVAZVHFVAQ-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Tert-butylcarbamoyl)piperidine-4-carboxylic acid
CID 894285
1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 146586371
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175843885
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 43135809
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 55010134
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 55175146
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
CID 55175147

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid (CID 63227736) is 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is CRFCBVAZVHFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-11(9(18)19)4-7-17(8-5-11)10(20)16-6-3-12(13,14)15/h2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63227736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).