2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid

C18H23FN2O4 — CID 167237711

IUPAC2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(C3CCC(O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-9-12(14-3-4-16(22)20-18(14)25)1-2-13(15)11-5-7-21(8-6-11)10-17(23)24/h1-2,9,11,14,16,22H,3-8,10H2,(H,20,25)(H,23,24)
InChIKeyVYCVVMFCFIUOOA-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.40
Rot. Bonds4

About 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid

2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid (PubChem CID 167237711) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
PubChem CID167237711
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(C3CCC(O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-9-12(14-3-4-16(22)20-18(14)25)1-2-13(15)11-5-7-21(8-6-11)10-17(23)24/h1-2,9,11,14,16,22H,3-8,10H2,(H,20,25)(H,23,24)
InChIKeyVYCVVMFCFIUOOA-UHFFFAOYSA-N
XLogP1.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid (CID 167237711) is 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(C3CCC(O)NC3=O)cc2F)CC1.
What is the InChIKey of 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid?
The InChIKey is VYCVVMFCFIUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-15-9-12(14-3-4-16(22)20-18(14)25)1-2-13(15)11-5-7-21(8-6-11)10-17(23)24/h1-2,9,11,14,16,22H,3-8,10H2,(H,20,25)(H,23,24).
What are the key properties of 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid?
2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid has a molecular weight of 350.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 167237711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).