4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid

C15H18ClFN2O3 — CID 54464713

IUPAC4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)O)CC1
InChIInChI=1S/C15H18ClFN2O3/c1-19-7-5-15(6-8-19,14(21)22)18-13(20)9-10-11(16)3-2-4-12(10)17/h2-4H,5-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyXEAMUWYWGLNBCD-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.69
Rot. Bonds4

About 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid

4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid (PubChem CID 54464713) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid
PubChem CID54464713
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid
SMILESCN1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)O)CC1
InChIInChI=1S/C15H18ClFN2O3/c1-19-7-5-15(6-8-19,14(21)22)18-13(20)9-10-11(16)3-2-4-12(10)17/h2-4H,5-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyXEAMUWYWGLNBCD-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid (CID 54464713) is 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid is CN1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid?
The InChIKey is XEAMUWYWGLNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c1-19-7-5-15(6-8-19,14(21)22)18-13(20)9-10-11(16)3-2-4-12(10)17/h2-4H,5-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid?
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid has a molecular weight of 328.77 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 54464713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).