4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid

C16H18F3NO5 — CID 119251700

IUPAC4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H18F3NO5/c17-16(18,19)25-12-4-1-11(2-5-12)3-6-13(21)20-9-7-15(24,8-10-20)14(22)23/h1-2,4-5,24H,3,6-10H2,(H,22,23)
InChIKeySVLFZBZVLUJJJP-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.96
Rot. Bonds5

About 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid (PubChem CID 119251700) has the molecular formula C16H18F3NO5 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
PubChem CID119251700
Molecular FormulaC16H18F3NO5
Molecular Weight361.32 g/mol
Exact Mass361.11
IUPAC Name4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H18F3NO5/c17-16(18,19)25-12-4-1-11(2-5-12)3-6-13(21)20-9-7-15(24,8-10-20)14(22)23/h1-2,4-5,24H,3,6-10H2,(H,22,23)
InChIKeySVLFZBZVLUJJJP-UHFFFAOYSA-N
XLogP1.96
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120803909
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 119647269
3-(4-acetylphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-1-one
CID 147622228
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;dihydrochloride
CID 118599221
1-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
1-[3-(3-bromophenyl)propanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251619
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120996743
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
4-[3-(3,3-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185589
1-[3-(1-aminoethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119595712

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid (CID 119251700) is 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid is O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is SVLFZBZVLUJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO5/c17-16(18,19)25-12-4-1-11(2-5-12)3-6-13(21)20-9-7-15(24,8-10-20)14(22)23/h1-2,4-5,24H,3,6-10H2,(H,22,23).
What are the key properties of 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).