N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

C18H31N5O3 — CID 56911788

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CC2C(=O)NCCN2CC(C)C)n1
InChIInChI=1S/C18H31N5O3/c1-12(2)8-15-20-16(26-21-15)11-22(5)17(24)9-14-18(25)19-6-7-23(14)10-13(3)4/h12-14H,6-11H2,1-5H3,(H,19,25)
InChIKeyIDDHUUHWEMQAJH-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.07
Rot. Bonds8

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 56911788) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID56911788
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CC2C(=O)NCCN2CC(C)C)n1
InChIInChI=1S/C18H31N5O3/c1-12(2)8-15-20-16(26-21-15)11-22(5)17(24)9-14-18(25)19-6-7-23(14)10-13(3)4/h12-14H,6-11H2,1-5H3,(H,19,25)
InChIKeyIDDHUUHWEMQAJH-UHFFFAOYSA-N
XLogP1.07
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 56911788) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is CC(C)Cc1noc(CN(C)C(=O)CC2C(=O)NCCN2CC(C)C)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is IDDHUUHWEMQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-12(2)8-15-20-16(26-21-15)11-22(5)17(24)9-14-18(25)19-6-7-23(14)10-13(3)4/h12-14H,6-11H2,1-5H3,(H,19,25).
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 56911788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).