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

C14H27N5O — CID 63236755

IUPAC2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCN1CCC(CN(C)Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C14H27N5O/c1-14(2,15)13-16-12(20-17-13)10-19(4)9-11-5-7-18(3)8-6-11/h11H,5-10,15H2,1-4H3
InChIKeyCAWPGDUSKXWTQG-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.04
Rot. Bonds5

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

2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63236755) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63236755
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCN1CCC(CN(C)Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C14H27N5O/c1-14(2,15)13-16-12(20-17-13)10-19(4)9-11-5-7-18(3)8-6-11/h11H,5-10,15H2,1-4H3
InChIKeyCAWPGDUSKXWTQG-UHFFFAOYSA-N
XLogP1.04
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63236755) is 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CN1CCC(CN(C)Cc2nc(C(C)(C)N)no2)CC1.
What is the InChIKey of 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is CAWPGDUSKXWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-14(2,15)13-16-12(20-17-13)10-19(4)9-11-5-7-18(3)8-6-11/h11H,5-10,15H2,1-4H3.
What are the key properties of 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63236755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).