N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C22H33N3O2 — CID 24792111

IUPACN-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H33N3O2/c1-17-9-7-8-10-18(17)16-25-14-13-23-22(27)20(25)15-21(26)24-19-11-5-3-2-4-6-12-19/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyAWYWCTJFPAMLOD-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.91
Rot. Bonds5

About N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24792111) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24792111
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCCC1
InChIInChI=1S/C22H33N3O2/c1-17-9-7-8-10-18(17)16-25-14-13-23-22(27)20(25)15-21(26)24-19-11-5-3-2-4-6-12-19/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyAWYWCTJFPAMLOD-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24792111) is N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is AWYWCTJFPAMLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-9-7-8-10-18(17)16-25-14-13-23-22(27)20(25)15-21(26)24-19-11-5-3-2-4-6-12-19/h7-10,19-20H,2-6,11-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24792111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).