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

C13H24N4O — CID 55173881

IUPACN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCc1nnc(CN2CCCC(CNC(C)C)C2)o1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-5-4-6-17(8-12)9-13-16-15-11(3)18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyDRTUADLYPKHHKE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds5

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

N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 55173881) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID55173881
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCc1nnc(CN2CCCC(CNC(C)C)C2)o1
InChIInChI=1S/C13H24N4O/c1-10(2)14-7-12-5-4-6-17(8-12)9-13-16-15-11(3)18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyDRTUADLYPKHHKE-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 55173881) is N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is Cc1nnc(CN2CCCC(CNC(C)C)C2)o1.
What is the InChIKey of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is DRTUADLYPKHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)14-7-12-5-4-6-17(8-12)9-13-16-15-11(3)18-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55173881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).