1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide

C16H19F3N2O3 — CID 95289341

IUPAC1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H19F3N2O3/c1-10(15(23)21-8-6-11(7-9-21)14(20)22)24-13-5-3-2-4-12(13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H2,20,22)/t10-/m1/s1
InChIKeyCRAJLRRJTQSHPD-SNVBAGLBSA-N
MW344.33 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide

1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide (PubChem CID 95289341) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
PubChem CID95289341
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H19F3N2O3/c1-10(15(23)21-8-6-11(7-9-21)14(20)22)24-13-5-3-2-4-12(13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H2,20,22)/t10-/m1/s1
InChIKeyCRAJLRRJTQSHPD-SNVBAGLBSA-N
XLogP2.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxylic acid
CID 167933952
1-[4-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119562344
1-(3-aminopyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119482866
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119646730
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119595189
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one;hydrochloride
CID 119436429
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 124694275
(2S,3S)-2-methyl-1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-3-carboxylic acid
CID 122115787
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide (CID 95289341) is 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide is C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide?
The InChIKey is CRAJLRRJTQSHPD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(15(23)21-8-6-11(7-9-21)14(20)22)24-13-5-3-2-4-12(13)16(17,18)19/h2-5,10-11H,6-9H2,1H3,(H2,20,22)/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide?
1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 95289341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).