4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid

C18H24N2O5 — CID 650485

IUPAC4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O5/c1-13(21)19-18(14-3-5-15(25-2)6-4-14)9-11-20(12-10-18)16(22)7-8-17(23)24/h3-6H,7-12H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyPQWRMBRHQWOLAZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.51
Rot. Bonds6

About 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 650485) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID650485
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O5/c1-13(21)19-18(14-3-5-15(25-2)6-4-14)9-11-20(12-10-18)16(22)7-8-17(23)24/h3-6H,7-12H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyPQWRMBRHQWOLAZ-UHFFFAOYSA-N
XLogP1.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid (CID 650485) is 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid is COc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is PQWRMBRHQWOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13(21)19-18(14-3-5-15(25-2)6-4-14)9-11-20(12-10-18)16(22)7-8-17(23)24/h3-6H,7-12H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-acetamido-4-(4-methoxyphenyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 650485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).