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

C16H24N6O2 — CID 56802412

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1noc(CN(C)C2CCCN(Cc3noc(C4CC4)n3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-11-17-15(23-19-11)10-21(2)13-4-3-7-22(8-13)9-14-18-16(24-20-14)12-5-6-12/h12-13H,3-10H2,1-2H3
InChIKeyQHSVRWDXXYFEJJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.73
Rot. Bonds6

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 56802412) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
PubChem CID56802412
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1noc(CN(C)C2CCCN(Cc3noc(C4CC4)n3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-11-17-15(23-19-11)10-21(2)13-4-3-7-22(8-13)9-14-18-16(24-20-14)12-5-6-12/h12-13H,3-10H2,1-2H3
InChIKeyQHSVRWDXXYFEJJ-UHFFFAOYSA-N
XLogP1.73
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (CID 56802412) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is Cc1noc(CN(C)C2CCCN(Cc3noc(C4CC4)n3)C2)n1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is QHSVRWDXXYFEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-17-15(23-19-11)10-21(2)13-4-3-7-22(8-13)9-14-18-16(24-20-14)12-5-6-12/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 332.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56802412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).