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

C13H24N4O — CID 55245117

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nnc(CC)o1)C1CCCNC1
InChIInChI=1S/C13H24N4O/c1-3-8-17(11-6-5-7-14-9-11)10-13-16-15-12(4-2)18-13/h11,14H,3-10H2,1-2H3
InChIKeyBCZBDNHVMSRXRZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds6

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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 55245117) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID55245117
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nnc(CC)o1)C1CCCNC1
InChIInChI=1S/C13H24N4O/c1-3-8-17(11-6-5-7-14-9-11)10-13-16-15-12(4-2)18-13/h11,14H,3-10H2,1-2H3
InChIKeyBCZBDNHVMSRXRZ-UHFFFAOYSA-N
XLogP1.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine (CID 55245117) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1nnc(CC)o1)C1CCCNC1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is BCZBDNHVMSRXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-8-17(11-6-5-7-14-9-11)10-13-16-15-12(4-2)18-13/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 55245117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).