1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C14H16F2N2O3 — CID 63137889

IUPAC1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20)5-2-6-18(8-14)13(21)17-11-4-3-9(15)7-10(11)16/h3-4,7H,2,5-6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDSAVWTCRZFYDHO-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.68
Rot. Bonds2

About 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137889) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137889
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C14H16F2N2O3/c1-14(12(19)20)5-2-6-18(8-14)13(21)17-11-4-3-9(15)7-10(11)16/h3-4,7H,2,5-6,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDSAVWTCRZFYDHO-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-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
1-[(2-bromo-3,5-difluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091025
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-[[5-fluoro-2-(2-methoxyethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079006
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
1-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076162
1-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075342

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63137889) is 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DSAVWTCRZFYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-14(12(19)20)5-2-6-18(8-14)13(21)17-11-4-3-9(15)7-10(11)16/h3-4,7H,2,5-6,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2,4-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-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).