1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid

C19H24F2N2O4 — CID 120525502

IUPAC1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(CC(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H24F2N2O4/c1-12(15-4-3-14(20)10-16(15)21)9-17(24)22(2)11-18(25)23-7-5-13(6-8-23)19(26)27/h3-4,10,12-13H,5-9,11H2,1-2H3,(H,26,27)
InChIKeyRTXUDOCNIKYNAP-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 120525502) has the molecular formula C19H24F2N2O4 and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID120525502
Molecular FormulaC19H24F2N2O4
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(CC(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H24F2N2O4/c1-12(15-4-3-14(20)10-16(15)21)9-17(24)22(2)11-18(25)23-7-5-13(6-8-23)19(26)27/h3-4,10,12-13H,5-9,11H2,1-2H3,(H,26,27)
InChIKeyRTXUDOCNIKYNAP-UHFFFAOYSA-N
XLogP2.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71911174
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
4-[[3-(2,4-difluorophenyl)butanoyl-methylamino]methyl]benzoic acid
CID 120523745
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525600
3-[3-(2,4-difluorophenyl)butanoyl-methylamino]propanoic acid
CID 120525006
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657443
1-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241
1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
1-[2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235996
1-[1-(2,4-difluorophenyl)butylcarbamoyl]piperidine-4-carboxylic acid
CID 122006451

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid (CID 120525502) is 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid is CC(CC(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is RTXUDOCNIKYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4/c1-12(15-4-3-14(20)10-16(15)21)9-17(24)22(2)11-18(25)23-7-5-13(6-8-23)19(26)27/h3-4,10,12-13H,5-9,11H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120525502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).