5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide

C18H26N2O4 — CID 56711835

IUPAC5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCC/C=C(\C)CN1CCCC(CNC(=O)c2cc(=O)c(O)co2)C1
InChIInChI=1S/C18H26N2O4/c1-3-5-13(2)10-20-7-4-6-14(11-20)9-19-18(23)17-8-15(21)16(22)12-24-17/h5,8,12,14,22H,3-4,6-7,9-11H2,1-2H3,(H,19,23)/b13-5+
InChIKeyLCIPVVWABRKCDQ-WLRTZDKTSA-N
MW334.42 g/mol
LogP2.14
Rot. Bonds6

About 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide

5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 56711835) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID56711835
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCC/C=C(\C)CN1CCCC(CNC(=O)c2cc(=O)c(O)co2)C1
InChIInChI=1S/C18H26N2O4/c1-3-5-13(2)10-20-7-4-6-14(11-20)9-19-18(23)17-8-15(21)16(22)12-24-17/h5,8,12,14,22H,3-4,6-7,9-11H2,1-2H3,(H,19,23)/b13-5+
InChIKeyLCIPVVWABRKCDQ-WLRTZDKTSA-N
XLogP2.14
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide (CID 56711835) is 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide is CC/C=C(\C)CN1CCCC(CNC(=O)c2cc(=O)c(O)co2)C1.
What is the InChIKey of 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is LCIPVVWABRKCDQ-WLRTZDKTSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-5-13(2)10-20-7-4-6-14(11-20)9-19-18(23)17-8-15(21)16(22)12-24-17/h5,8,12,14,22H,3-4,6-7,9-11H2,1-2H3,(H,19,23)/b13-5+.
What are the key properties of 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 56711835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).