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

C20H27N5O4 — CID 24790267

IUPAC2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)Cc2nonc2C)cc1
InChIInChI=1S/C20H27N5O4/c1-4-28-16-7-5-15(6-8-16)12-25-10-9-21-20(27)18(25)11-19(26)24(3)13-17-14(2)22-29-23-17/h5-8,18H,4,9-13H2,1-3H3,(H,21,27)
InChIKeyBYJLFJAPFXVGSC-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.13
Rot. Bonds8

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

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (PubChem CID 24790267) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
PubChem CID24790267
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)Cc2nonc2C)cc1
InChIInChI=1S/C20H27N5O4/c1-4-28-16-7-5-15(6-8-16)12-25-10-9-21-20(27)18(25)11-19(26)24(3)13-17-14(2)22-29-23-17/h5-8,18H,4,9-13H2,1-3H3,(H,21,27)
InChIKeyBYJLFJAPFXVGSC-UHFFFAOYSA-N
XLogP1.13
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (CID 24790267) is 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is CCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)Cc2nonc2C)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is BYJLFJAPFXVGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-4-28-16-7-5-15(6-8-16)12-25-10-9-21-20(27)18(25)11-19(26)24(3)13-17-14(2)22-29-23-17/h5-8,18H,4,9-13H2,1-3H3,(H,21,27).
What are the key properties of 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 24790267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).