(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H14F2N2O3 — CID 81120122

IUPAC(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H14F2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m1/s1
InChIKeyIZGSQDIIQJPCPH-MRVPVSSYSA-N
MW284.26 g/mol
LogP2.29
Rot. Bonds2

About (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120122) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120122
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C13H14F2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m1/s1
InChIKeyIZGSQDIIQJPCPH-MRVPVSSYSA-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

(3S)-1-[(2,4,6-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119479
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120122) is (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IZGSQDIIQJPCPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m1/s1.
What are the key properties of (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-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 (3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).