1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine

C14H27N5O — CID 115415952

IUPAC1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-4-5-11(15)8-14-16-13(17-20-14)9-12-10-18(2)6-7-19(12)3/h11-12H,4-10,15H2,1-3H3
InChIKeyXFERWLRUCYQLIX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.53
Rot. Bonds6

About 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine

1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 115415952) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID115415952
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(CC2CN(C)CCN2C)no1
InChIInChI=1S/C14H27N5O/c1-4-5-11(15)8-14-16-13(17-20-14)9-12-10-18(2)6-7-19(12)3/h11-12H,4-10,15H2,1-3H3
InChIKeyXFERWLRUCYQLIX-UHFFFAOYSA-N
XLogP0.53
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 115415952) is 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(CC2CN(C)CCN2C)no1.
What is the InChIKey of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is XFERWLRUCYQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-4-5-11(15)8-14-16-13(17-20-14)9-12-10-18(2)6-7-19(12)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 115415952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).