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

C16H28N4O — CID 63855124

IUPACN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)17-10-13-6-4-5-9-20(13)11-14-18-15(21-19-14)12-7-8-12/h12-13,17H,4-11H2,1-3H3
InChIKeyGHSRGPWATPUXOE-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds5

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

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63855124) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63855124
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-16(2,3)17-10-13-6-4-5-9-20(13)11-14-18-15(21-19-14)12-7-8-12/h12-13,17H,4-11H2,1-3H3
InChIKeyGHSRGPWATPUXOE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine (CID 63855124) is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCCN1Cc1noc(C2CC2)n1.
What is the InChIKey of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GHSRGPWATPUXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)17-10-13-6-4-5-9-20(13)11-14-18-15(21-19-14)12-7-8-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63855124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).