4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

C19H25F3N2O3 — CID 122027495

IUPAC4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCC1CC(C(F)(F)F)CCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H25F3N2O3/c1-13-11-15(19(20,21)22)9-10-24(13)18(27)23-16(7-8-17(25)26)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyKQFIRKJIAAZCEE-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.83
Rot. Bonds6

About 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid

4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027495) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027495
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
SMILESCC1CC(C(F)(F)F)CCN1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H25F3N2O3/c1-13-11-15(19(20,21)22)9-10-24(13)18(27)23-16(7-8-17(25)26)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)(H,25,26)
InChIKeyKQFIRKJIAAZCEE-UHFFFAOYSA-N
XLogP3.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027848
4-[[2-[2-(ethylamino)-2-oxoethyl]piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027859
5-phenyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]pentanoic acid
CID 122028250

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid (CID 122027495) is 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is CC1CC(C(F)(F)F)CCN1C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is KQFIRKJIAAZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-13-11-15(19(20,21)22)9-10-24(13)18(27)23-16(7-8-17(25)26)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid?
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 386.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).