1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

C10H16F2N2O3 — CID 115408027

IUPAC1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O3/c1-10(8(15)16)2-4-14(5-3-10)9(17)13-6-7(11)12/h7H,2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyXWOGURVBXDPWRM-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.15
Rot. Bonds3

About 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid

1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 115408027) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID115408027
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O3/c1-10(8(15)16)2-4-14(5-3-10)9(17)13-6-7(11)12/h7H,2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyXWOGURVBXDPWRM-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid (CID 115408027) is 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is XWOGURVBXDPWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-10(8(15)16)2-4-14(5-3-10)9(17)13-6-7(11)12/h7H,2-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid?
1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115408027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).