1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide

C18H28N4O3 — CID 45200150

IUPAC1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyNYFQKSXCWSJJSU-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.13
Rot. Bonds6

About 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide

1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 45200150) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID45200150
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyNYFQKSXCWSJJSU-UHFFFAOYSA-N
XLogP1.13
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (CID 45200150) is 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is COCCN1CC(C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NYFQKSXCWSJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45200150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).