1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H23FN2O4 — CID 122122962

IUPAC1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O4/c1-11-7-13(16(21)22)10-20(9-11)17(23)19-8-12(2)24-15-5-3-14(18)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyRSSFBUYVCOKQCZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122962) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122122962
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCC(C)Oc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O4/c1-11-7-13(16(21)22)10-20(9-11)17(23)19-8-12(2)24-15-5-3-14(18)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyRSSFBUYVCOKQCZ-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenoxy)butylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122228
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
1-(2,3-dimethylbutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122879
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
1-[(3-methoxy-2-methylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122852
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
1-[4-(4-fluorophenoxy)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118917
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122122962) is 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCC(C)Oc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RSSFBUYVCOKQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-11-7-13(16(21)22)10-20(9-11)17(23)19-8-12(2)24-15-5-3-14(18)4-6-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).