N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C17H24N6O — CID 56778171

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)nn1
InChIInChI=1S/C17H24N6O/c1-12-5-8-15(19-18-12)23-9-3-4-14(10-23)22(2)11-16-20-21-17(24-16)13-6-7-13/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeySBMLPFQPEIPIDJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.15
Rot. Bonds5

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 56778171) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID56778171
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)nn1
InChIInChI=1S/C17H24N6O/c1-12-5-8-15(19-18-12)23-9-3-4-14(10-23)22(2)11-16-20-21-17(24-16)13-6-7-13/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3
InChIKeySBMLPFQPEIPIDJ-UHFFFAOYSA-N
XLogP2.15
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 56778171) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine is Cc1ccc(N2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)nn1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is SBMLPFQPEIPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-5-8-15(19-18-12)23-9-3-4-14(10-23)22(2)11-16-20-21-17(24-16)13-6-7-13/h5,8,13-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 56778171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).