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

C13H23N5O2 — CID 110258499

IUPAC1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nonc1CNC(=O)C1CN(C(C)C)CCN1C
InChIInChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19)
InChIKeyKOEDWTFVSWNJFX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.02
Rot. Bonds4

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

1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110258499) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID110258499
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCc1nonc1CNC(=O)C1CN(C(C)C)CCN1C
InChIInChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19)
InChIKeyKOEDWTFVSWNJFX-UHFFFAOYSA-N
XLogP0.02
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 110258499) is 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is Cc1nonc1CNC(=O)C1CN(C(C)C)CCN1C.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is KOEDWTFVSWNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)18-6-5-17(4)12(8-18)13(19)14-7-11-10(3)15-20-16-11/h9,12H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide?
1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).