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

C13H14F2N2O3 — CID 16770140

IUPAC1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-1-2-11(10(15)7-9)16-13(20)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,16,20)(H,18,19)
InChIKeyBSJSBTMZTHMYRQ-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.29
Rot. Bonds2

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

1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 16770140) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID16770140
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-1-2-11(10(15)7-9)16-13(20)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,16,20)(H,18,19)
InChIKeyBSJSBTMZTHMYRQ-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
(4S)-N-(2,4-difluorophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 95723660
1-[(2-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82015860
1-[(2-fluoro-4-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031918
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43168350
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid (CID 16770140) is 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BSJSBTMZTHMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-9-1-2-11(10(15)7-9)16-13(20)17-5-3-8(4-6-17)12(18)19/h1-2,7-8H,3-6H2,(H,16,20)(H,18,19).
What are the key properties of 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 284.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 16770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).