1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid

C14H16F2N2O3 — CID 63791734

IUPAC1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H16F2N2O3/c15-11-3-4-12(16)10(6-11)7-17-14(21)18-5-1-2-9(8-18)13(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,17,21)(H,19,20)
InChIKeyHUMCQHUKSZODKK-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.97
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid

1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 63791734) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID63791734
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCc2cc(F)ccc2F)C1
InChIInChI=1S/C14H16F2N2O3/c15-11-3-4-12(16)10(6-11)7-17-14(21)18-5-1-2-9(8-18)13(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,17,21)(H,19,20)
InChIKeyHUMCQHUKSZODKK-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
1-[(4-methyl-2-methylsulfanylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006136
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 63791734) is 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HUMCQHUKSZODKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-11-3-4-12(16)10(6-11)7-17-14(21)18-5-1-2-9(8-18)13(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63791734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).