1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid

C17H19F3N2O5 — CID 119236319

IUPAC1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O5/c1-21(10-14(23)22-8-6-12(7-9-22)16(25)26)15(24)11-2-4-13(5-3-11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,25,26)
InChIKeyLWPQUVCDGJBCMO-UHFFFAOYSA-N
MW388.34 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236319) has the molecular formula C17H19F3N2O5 and a molecular weight of 388.34 g/mol. Its IUPAC name is 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236319
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34 g/mol
Exact Mass388.12
IUPAC Name1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N2O5/c1-21(10-14(23)22-8-6-12(7-9-22)16(25)26)15(24)11-2-4-13(5-3-11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,25,26)
InChIKeyLWPQUVCDGJBCMO-UHFFFAOYSA-N
XLogP1.98
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235772
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120525541
1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
CID 119907237
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525452
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid (CID 119236319) is 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is LWPQUVCDGJBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O5/c1-21(10-14(23)22-8-6-12(7-9-22)16(25)26)15(24)11-2-4-13(5-3-11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,25,26).
What are the key properties of 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 388.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).