N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C19H24N2O2 — CID 141293091

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2=C3C=C4CC4=C3C=C2)CC1
InChIInChI=1S/C19H24N2O2/c1-23-9-8-21-6-4-13(5-7-21)12-20-19(22)16-3-2-15-17-10-14(17)11-18(15)16/h2-3,11,13H,4-10,12H2,1H3,(H,20,22)
InChIKeyUYPLBWHYWRKPJJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293091) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293091
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2=C3C=C4CC4=C3C=C2)CC1
InChIInChI=1S/C19H24N2O2/c1-23-9-8-21-6-4-13(5-7-21)12-20-19(22)16-3-2-15-17-10-14(17)11-18(15)16/h2-3,11,13H,4-10,12H2,1H3,(H,20,22)
InChIKeyUYPLBWHYWRKPJJ-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293091) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is COCCN1CCC(CNC(=O)C2=C3C=C4CC4=C3C=C2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is UYPLBWHYWRKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-23-9-8-21-6-4-13(5-7-21)12-20-19(22)16-3-2-15-17-10-14(17)11-18(15)16/h2-3,11,13H,4-10,12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).