5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C18H26N4O3 — CID 71714627

IUPAC5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C18H26N4O3/c1-24-10-9-22-7-5-13(6-8-22)12-19-18(23)17-15-11-14(25-2)3-4-16(15)20-21-17/h3-4,11,13H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPKKBXXKBIFOZEH-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.66
Rot. Bonds7

About 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71714627) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71714627
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C18H26N4O3/c1-24-10-9-22-7-5-13(6-8-22)12-19-18(23)17-15-11-14(25-2)3-4-16(15)20-21-17/h3-4,11,13H,5-10,12H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyPKKBXXKBIFOZEH-UHFFFAOYSA-N
XLogP1.66
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71714627) is 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is PKKBXXKBIFOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-24-10-9-22-7-5-13(6-8-22)12-19-18(23)17-15-11-14(25-2)3-4-16(15)20-21-17/h3-4,11,13H,5-10,12H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).