2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride

C13H22ClF3N2O3 — CID 119923251

IUPAC2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C13H21F3N2O3.ClH/c1-2-5-18(9-13(14,15)16)12(21)10-4-3-6-17(7-10)8-11(19)20;/h10H,2-9H2,1H3,(H,19,20);1H
InChIKeyGNLWITJKWOWUIX-UHFFFAOYSA-N
MW346.78 g/mol
LogP2.01
Rot. Bonds6

About 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride

2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride (PubChem CID 119923251) has the molecular formula C13H22ClF3N2O3 and a molecular weight of 346.78 g/mol. Its IUPAC name is 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
PubChem CID119923251
Molecular FormulaC13H22ClF3N2O3
Molecular Weight346.78 g/mol
Exact Mass346.13
IUPAC Name2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CC(=O)O)C1.Cl
InChIInChI=1S/C13H21F3N2O3.ClH/c1-2-5-18(9-13(14,15)16)12(21)10-4-3-6-17(7-10)8-11(19)20;/h10H,2-9H2,1H3,(H,19,20);1H
InChIKeyGNLWITJKWOWUIX-UHFFFAOYSA-N
XLogP2.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 119932159
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119923258
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55664490
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567

Frequently Asked Questions

What is the IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride (CID 119923251) is 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride is CCCN(CC(F)(F)F)C(=O)C1CCCN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride?
The InChIKey is GNLWITJKWOWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3.ClH/c1-2-5-18(9-13(14,15)16)12(21)10-4-3-6-17(7-10)8-11(19)20;/h10H,2-9H2,1H3,(H,19,20);1H.
What are the key properties of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride?
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride has a molecular weight of 346.78 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 119923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).