N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C23H26N4O5 — CID 25453603

IUPACN-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1
InChIInChI=1S/C23H26N4O5/c1-29-14-19-4-3-18(32-19)13-26-10-7-17(8-11-26)27-22(6-9-24-27)25-23(28)16-2-5-20-21(12-16)31-15-30-20/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,25,28)
InChIKeyILBXMMXWCPLLHZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 25453603) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID25453603
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1
InChIInChI=1S/C23H26N4O5/c1-29-14-19-4-3-18(32-19)13-26-10-7-17(8-11-26)27-22(6-9-24-27)25-23(28)16-2-5-20-21(12-16)31-15-30-20/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,25,28)
InChIKeyILBXMMXWCPLLHZ-UHFFFAOYSA-N
XLogP3.44
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 25453603) is N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is COCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1.
What is the InChIKey of N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ILBXMMXWCPLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-29-14-19-4-3-18(32-19)13-26-10-7-17(8-11-26)27-22(6-9-24-27)25-23(28)16-2-5-20-21(12-16)31-15-30-20/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 25453603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).