1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid

C14H15F3N2O4 — CID 122092933

IUPAC1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)CC1
InChIInChI=1S/C14H15F3N2O4/c15-10-7-9(23-13(16)17)1-2-11(10)18-14(22)19-5-3-8(4-6-19)12(20)21/h1-2,7-8,13H,3-6H2,(H,18,22)(H,20,21)
InChIKeyBWJIJEDCQQZMEE-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.76
Rot. Bonds4

About 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122092933) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122092933
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)CC1
InChIInChI=1S/C14H15F3N2O4/c15-10-7-9(23-13(16)17)1-2-11(10)18-14(22)19-5-3-8(4-6-19)12(20)21/h1-2,7-8,13H,3-6H2,(H,18,22)(H,20,21)
InChIKeyBWJIJEDCQQZMEE-UHFFFAOYSA-N
XLogP2.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
1-[(2-fluoro-4-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031918
4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674092
1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824480

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122092933) is 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)CC1.
What is the InChIKey of 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BWJIJEDCQQZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-10-7-9(23-13(16)17)1-2-11(10)18-14(22)19-5-3-8(4-6-19)12(20)21/h1-2,7-8,13H,3-6H2,(H,18,22)(H,20,21).
What are the key properties of 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122092933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).