2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid

C19H28N2O5 — CID 19380925

IUPAC2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCc2cccn(CC(=O)O)c2=O)CC1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-15-5-4-10-21(17(15)24)13-16(22)23/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,22,23)
InChIKeyDSOIRNVMLFBKHG-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.51
Rot. Bonds5

About 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid

2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 19380925) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID19380925
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCc2cccn(CC(=O)O)c2=O)CC1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-15-5-4-10-21(17(15)24)13-16(22)23/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,22,23)
InChIKeyDSOIRNVMLFBKHG-UHFFFAOYSA-N
XLogP2.51
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid (CID 19380925) is 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid is CC(C)(C)OC(=O)N1CCC(CCc2cccn(CC(=O)O)c2=O)CC1.
What is the InChIKey of 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is DSOIRNVMLFBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)26-18(25)20-11-8-14(9-12-20)6-7-15-5-4-10-21(17(15)24)13-16(22)23/h4-5,10,14H,6-9,11-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 364.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 19380925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).