1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C14H16F2N2O3 — CID 63135920

IUPAC1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20)6-3-7-18(8-14)13(21)17-11-9(15)4-2-5-10(11)16/h2,4-5H,3,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyPSWWNGXJCXSLIB-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.68
Rot. Bonds2

About 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63135920) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63135920
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20)6-3-7-18(8-14)13(21)17-11-9(15)4-2-5-10(11)16/h2,4-5H,3,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyPSWWNGXJCXSLIB-UHFFFAOYSA-N
XLogP2.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149175
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 81498008

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63135920) is 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is PSWWNGXJCXSLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-14(12(19)20)6-3-7-18(8-14)13(21)17-11-9(15)4-2-5-10(11)16/h2,4-5H,3,6-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).