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

C10H16F2N2O4 — CID 114284603

IUPAC1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O4/c1-18-10(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)
InChIKeyMUGDKGAVJFFLCF-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.53
Rot. Bonds4

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

1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid (PubChem CID 114284603) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
PubChem CID114284603
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Name1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O4/c1-18-10(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)
InChIKeyMUGDKGAVJFFLCF-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106110274
2-Hydroxy-4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840298
(2S)-2-hydroxy-4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840299
2-Hydroxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840300
(2S)-2-hydroxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107840301
1-(3-Fluoropropylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid
CID 114284609
4-Methoxy-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 146121214
4-Hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 90059363
Methyl 4-hydroxy-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 90059364
Methyl 4-hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylate
CID 90067056
4-Hydroxy-1-(methylcarbamoyl)piperidine-4-carboxylic acid
CID 90067068
2-Hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66173236

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid (CID 114284603) is 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid is COC1(C(=O)O)CCN(C(=O)NCC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid?
The InChIKey is MUGDKGAVJFFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c1-18-10(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-methoxypiperidine-4-carboxylic acid?
1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid has a molecular weight of 266.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylcarbamoyl)-4-methoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 114284603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).