N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C23H35N3O3 — CID 45244517

IUPACN-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)c(C)c1C
InChIInChI=1S/C23H35N3O3/c1-16-17(2)21(29-4)11-10-18(16)15-26-13-12-24-23(28)20(26)14-22(27)25(3)19-8-6-5-7-9-19/h10-11,19-20H,5-9,12-15H2,1-4H3,(H,24,28)
InChIKeyOQARWXCTXHNJAU-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.79
Rot. Bonds6

About N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 45244517) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID45244517
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)c(C)c1C
InChIInChI=1S/C23H35N3O3/c1-16-17(2)21(29-4)11-10-18(16)15-26-13-12-24-23(28)20(26)14-22(27)25(3)19-8-6-5-7-9-19/h10-11,19-20H,5-9,12-15H2,1-4H3,(H,24,28)
InChIKeyOQARWXCTXHNJAU-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42212392
ethyl 4-[2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 25381314
N-cyclohexyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 24791629
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[(2S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 25490337
N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 26328550
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 95721705
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
CID 42287624
N-butyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45233537
N-(2-methoxyethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56885671
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 45244517) is N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)N(C)C2CCCCC2)c(C)c1C.
What is the InChIKey of N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is OQARWXCTXHNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-16-17(2)21(29-4)11-10-18(16)15-26-13-12-24-23(28)20(26)14-22(27)25(3)19-8-6-5-7-9-19/h10-11,19-20H,5-9,12-15H2,1-4H3,(H,24,28).
What are the key properties of N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 401.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 45244517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).