2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide

C20H29N3O4 — CID 24791864

IUPAC2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1cccc(CN2CCNC(=O)C2CC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-17-4-2-3-16(11-17)14-23-8-7-21-20(25)18(23)12-19(24)22-13-15-5-9-27-10-6-15/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyMACAYIBJENZGLQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.93
Rot. Bonds7

About 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide

2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 24791864) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID24791864
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1cccc(CN2CCNC(=O)C2CC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C20H29N3O4/c1-26-17-4-2-3-16(11-17)14-23-8-7-21-20(25)18(23)12-19(24)22-13-15-5-9-27-10-6-15/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyMACAYIBJENZGLQ-UHFFFAOYSA-N
XLogP0.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide (CID 24791864) is 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide is COc1cccc(CN2CCNC(=O)C2CC(=O)NCC2CCOCC2)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is MACAYIBJENZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-26-17-4-2-3-16(11-17)14-23-8-7-21-20(25)18(23)12-19(24)22-13-15-5-9-27-10-6-15/h2-4,11,15,18H,5-10,12-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 24791864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).