N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide

C22H33N3O3 — CID 24817833

IUPACN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-17-5-3-4-6-19(17)16-25-12-10-23-22(27)20(25)15-21(26)24(2)11-7-18-8-13-28-14-9-18/h3-6,18,20H,7-16H2,1-2H3,(H,23,27)
InChIKeySXXWNPCLTAYBRC-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.96
Rot. Bonds7

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

N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 24817833) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID24817833
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCC1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-17-5-3-4-6-19(17)16-25-12-10-23-22(27)20(25)15-21(26)24(2)11-7-18-8-13-28-14-9-18/h3-6,18,20H,7-16H2,1-2H3,(H,23,27)
InChIKeySXXWNPCLTAYBRC-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide (CID 24817833) is N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide is Cc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)CCC1CCOCC1.
What is the InChIKey of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is SXXWNPCLTAYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-17-5-3-4-6-19(17)16-25-12-10-23-22(27)20(25)15-21(26)24(2)11-7-18-8-13-28-14-9-18/h3-6,18,20H,7-16H2,1-2H3,(H,23,27).
What are the key properties of N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide?
N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 24817833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).