4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide

C16H20N2O3 — CID 88604539

IUPAC4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)C(CN1CCC(O)C(C(N)=O)C1)=C2
InChIInChI=1S/C16H20N2O3/c1-21-12-3-2-10-6-11(13(10)7-12)8-18-5-4-15(19)14(9-18)16(17)20/h2-3,6-7,14-15,19H,4-5,8-9H2,1H3,(H2,17,20)
InChIKeyAWXYKOIYQGUKOH-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.72
Rot. Bonds4

About 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide

4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide (PubChem CID 88604539) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide
PubChem CID88604539
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)C(CN1CCC(O)C(C(N)=O)C1)=C2
InChIInChI=1S/C16H20N2O3/c1-21-12-3-2-10-6-11(13(10)7-12)8-18-5-4-15(19)14(9-18)16(17)20/h2-3,6-7,14-15,19H,4-5,8-9H2,1H3,(H2,17,20)
InChIKeyAWXYKOIYQGUKOH-UHFFFAOYSA-N
XLogP0.72
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide (CID 88604539) is 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide is COc1ccc2c(c1)C(CN1CCC(O)C(C(N)=O)C1)=C2.
What is the InChIKey of 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AWXYKOIYQGUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-12-3-2-10-6-11(13(10)7-12)8-18-5-4-15(19)14(9-18)16(17)20/h2-3,6-7,14-15,19H,4-5,8-9H2,1H3,(H2,17,20).
What are the key properties of 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide?
4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 88604539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).