1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H16F2N2O3 — CID 122101962

IUPAC1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H16F2N2O3/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-12-4-10(15)3-11(16)5-12/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNDDCZKKOJYLNDA-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.54
Rot. Bonds2

About 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122101962) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122101962
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H16F2N2O3/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-12-4-10(15)3-11(16)5-12/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNDDCZKKOJYLNDA-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102384
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
1-[(4-methoxycarbonyl-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102328
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122101962) is 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is NDDCZKKOJYLNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-12-4-10(15)3-11(16)5-12/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122101962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).