N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C16H28N4O — CID 79705553

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(C)(C)c1noc(CN(CC2CCNCC2)C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-14(21-19-15)11-20(13-4-5-13)10-12-6-8-17-9-7-12/h12-13,17H,4-11H2,1-3H3
InChIKeyYAUQRUJZZGKWRP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.33
Rot. Bonds5

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79705553) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79705553
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCC(C)(C)c1noc(CN(CC2CCNCC2)C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-18-14(21-19-15)11-20(13-4-5-13)10-12-6-8-17-9-7-12/h12-13,17H,4-11H2,1-3H3
InChIKeyYAUQRUJZZGKWRP-UHFFFAOYSA-N
XLogP2.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79705553) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CC(C)(C)c1noc(CN(CC2CCNCC2)C2CC2)n1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is YAUQRUJZZGKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)15-18-14(21-19-15)11-20(13-4-5-13)10-12-6-8-17-9-7-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 292.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79705553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).