2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid

C14H16F2N2O3 — CID 61182627

IUPAC2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O3/c15-9-4-5-11(16)12(7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyORWHFGMEQHURKR-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61182627) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61182627
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O3/c15-9-4-5-11(16)12(7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyORWHFGMEQHURKR-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 79760864
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-fluorobenzoic acid
CID 61207097
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61010111
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61476008
2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 54899661
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61182627) is 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is ORWHFGMEQHURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-9-4-5-11(16)12(7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 298.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61182627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).