1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid

C17H20F2N2O4 — CID 122009089

IUPAC1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCOC2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H20F2N2O4/c18-12-4-3-10(8-13(12)19)15-14(5-7-25-15)20-17(24)21-6-1-2-11(9-21)16(22)23/h3-4,8,11,14-15H,1-2,5-7,9H2,(H,20,24)(H,22,23)
InChIKeyVZJNRAHITDLTRU-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.30
Rot. Bonds3

About 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122009089) has the molecular formula C17H20F2N2O4 and a molecular weight of 354.35 g/mol. Its IUPAC name is 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122009089
Molecular FormulaC17H20F2N2O4
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCOC2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H20F2N2O4/c18-12-4-3-10(8-13(12)19)15-14(5-7-25-15)20-17(24)21-6-1-2-11(9-21)16(22)23/h3-4,8,11,14-15H,1-2,5-7,9H2,(H,20,24)(H,22,23)
InChIKeyVZJNRAHITDLTRU-UHFFFAOYSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
3-[2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552164
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123325
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122009089) is 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCOC2c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is VZJNRAHITDLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4/c18-12-4-3-10(8-13(12)19)15-14(5-7-25-15)20-17(24)21-6-1-2-11(9-21)16(22)23/h3-4,8,11,14-15H,1-2,5-7,9H2,(H,20,24)(H,22,23).
What are the key properties of 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 354.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122009089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).