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

C15H19FN2O3 — CID 143163490

IUPAC2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid
SMILESCc1cc(F)ccc1C1CCCN(C(=O)O)C1(C)C(N)=O
InChIInChI=1S/C15H19FN2O3/c1-9-8-10(16)5-6-11(9)12-4-3-7-18(14(20)21)15(12,2)13(17)19/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,19)(H,20,21)
InChIKeyPMKFYXNPNMQQSY-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds2

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

2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid (PubChem CID 143163490) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid
PubChem CID143163490
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid
SMILESCc1cc(F)ccc1C1CCCN(C(=O)O)C1(C)C(N)=O
InChIInChI=1S/C15H19FN2O3/c1-9-8-10(16)5-6-11(9)12-4-3-7-18(14(20)21)15(12,2)13(17)19/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,19)(H,20,21)
InChIKeyPMKFYXNPNMQQSY-UHFFFAOYSA-N
XLogP2.24
TPSA83.63 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-[carbamoyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878667
2-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid
CID 22037098
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878588
2-(4-fluoro-2-methylphenyl)-3-formylpyrrolidine-1-carboxylic acid
CID 87973795
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
benzyl (3S)-3-(4-fluoro-2-methylphenyl)piperidine-1-carboxylate
CID 143163526
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 69175848
1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056522
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
(2R,4S)-4-amino-2-(4-fluoro-2-methylphenyl)-4-prop-2-enylpiperidine-1-carboxylic acid
CID 68978855
(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275913
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid (CID 143163490) is 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid is Cc1cc(F)ccc1C1CCCN(C(=O)O)C1(C)C(N)=O.
What is the InChIKey of 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid?
The InChIKey is PMKFYXNPNMQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-8-10(16)5-6-11(9)12-4-3-7-18(14(20)21)15(12,2)13(17)19/h5-6,8,12H,3-4,7H2,1-2H3,(H2,17,19)(H,20,21).
What are the key properties of 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid?
2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-(4-fluoro-2-methylphenyl)-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 143163490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).