N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C18H23N7O3 — CID 86921331

IUPACN-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C18H23N7O3/c26-18(19-8-2-11-27-13-15-3-1-12-28-15)14-6-9-24(10-7-14)17-5-4-16-20-22-23-25(16)21-17/h1,3-5,12,14H,2,6-11,13H2,(H,19,26)
InChIKeyAMCPSODLWCYOPV-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.05
Rot. Bonds8

About N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 86921331) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID86921331
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C18H23N7O3/c26-18(19-8-2-11-27-13-15-3-1-12-28-15)14-6-9-24(10-7-14)17-5-4-16-20-22-23-25(16)21-17/h1,3-5,12,14H,2,6-11,13H2,(H,19,26)
InChIKeyAMCPSODLWCYOPV-UHFFFAOYSA-N
XLogP1.05
TPSA110.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291
N-(furan-2-ylmethyl)-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326781
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 24665519
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367
1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 55463061
N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78852969
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 86921331) is N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(NCCCOCc1ccco1)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is AMCPSODLWCYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-18(19-8-2-11-27-13-15-3-1-12-28-15)14-6-9-24(10-7-14)17-5-4-16-20-22-23-25(16)21-17/h1,3-5,12,14H,2,6-11,13H2,(H,19,26).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86921331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).