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

C17H26N6O — CID 71878603

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCN(Cc1nccn1C)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-21-9-7-18-16(21)12-22(2)14-4-3-8-23(10-14)11-15-19-17(24-20-15)13-5-6-13/h7,9,13-14H,3-6,8,10-12H2,1-2H3
InChIKeyVZFQYWKANPEFJN-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.78
Rot. Bonds6

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine (PubChem CID 71878603) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
PubChem CID71878603
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCN(Cc1nccn1C)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-21-9-7-18-16(21)12-22(2)14-4-3-8-23(10-14)11-15-19-17(24-20-15)13-5-6-13/h7,9,13-14H,3-6,8,10-12H2,1-2H3
InChIKeyVZFQYWKANPEFJN-UHFFFAOYSA-N
XLogP1.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine (CID 71878603) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine is CN(Cc1nccn1C)C1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is VZFQYWKANPEFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21-9-7-18-16(21)12-22(2)14-4-3-8-23(10-14)11-15-19-17(24-20-15)13-5-6-13/h7,9,13-14H,3-6,8,10-12H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 71878603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).