1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid

C19H24FN3O5 — CID 69169390

IUPAC1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cc(F)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O
InChIInChI=1S/C19H24FN3O5/c1-2-28-19(27)13-10-14(20)17(22-8-5-12(6-9-22)18(25)26)21-15(13)11-23-7-3-4-16(23)24/h10,12H,2-9,11H2,1H3,(H,25,26)
InChIKeyLYFHCWVMMBGTLC-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.82
Rot. Bonds6

About 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 69169390) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID69169390
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cc(F)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O
InChIInChI=1S/C19H24FN3O5/c1-2-28-19(27)13-10-14(20)17(22-8-5-12(6-9-22)18(25)26)21-15(13)11-23-7-3-4-16(23)24/h10,12H,2-9,11H2,1H3,(H,25,26)
InChIKeyLYFHCWVMMBGTLC-UHFFFAOYSA-N
XLogP1.82
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 69169390) is 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid is CCOC(=O)c1cc(F)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O.
What is the InChIKey of 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is LYFHCWVMMBGTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-2-28-19(27)13-10-14(20)17(22-8-5-12(6-9-22)18(25)26)21-15(13)11-23-7-3-4-16(23)24/h10,12H,2-9,11H2,1H3,(H,25,26).
What are the key properties of 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethoxycarbonyl-3-fluoro-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 69169390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).