1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid

C15H19FN2O3 — CID 114425178

IUPAC1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCc2ccc(F)cc2)C(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-18(13(8-10)14(19)20)15(21)17-9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyBHYNXPMAIKIEGL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.22
Rot. Bonds3

About 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425178) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425178
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCc2ccc(F)cc2)C(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-18(13(8-10)14(19)20)15(21)17-9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyBHYNXPMAIKIEGL-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
4-methyl-1-(pyridin-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425193
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
1-[(4-bromothiophen-2-yl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425618
4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114425482
1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425698
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
(2R,4R)-1-[(3,4-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000456
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425494

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425178) is 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)NCc2ccc(F)cc2)C(C(=O)O)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is BHYNXPMAIKIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-7-18(13(8-10)14(19)20)15(21)17-9-11-2-4-12(16)5-3-11/h2-5,10,13H,6-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).