1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C15H19FN2O3 — CID 114425698

IUPAC1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)N2CCC(C)CC2C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-18(13(7-9)14(19)20)15(21)17-12-6-10(2)5-11(16)8-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMGNTWYJWJNIBKU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.85
Rot. Bonds2

About 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425698) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114425698
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)N2CCC(C)CC2C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-18(13(7-9)14(19)20)15(21)17-12-6-10(2)5-11(16)8-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMGNTWYJWJNIBKU-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107601975
(2S,4R)-4-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 100618454
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
7-[(3-fluoro-5-methylphenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79046085
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114426059
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 114425698) is 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is Cc1cc(F)cc(NC(=O)N2CCC(C)CC2C(=O)O)c1.
What is the InChIKey of 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MGNTWYJWJNIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-3-4-18(13(7-9)14(19)20)15(21)17-12-6-10(2)5-11(16)8-12/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).