N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide

C22H27N3O3 — CID 91839835

IUPACN-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3cccc(C)c3C)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16-6-4-9-20(17(16)2)23-21(26)10-11-24-12-13-25(22(27)15-24)18-7-5-8-19(14-18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyMJPVMHOQNUGYQC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.99
Rot. Bonds6

About N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide

N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide (PubChem CID 91839835) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide
PubChem CID91839835
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3cccc(C)c3C)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16-6-4-9-20(17(16)2)23-21(26)10-11-24-12-13-25(22(27)15-24)18-7-5-8-19(14-18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)
InChIKeyMJPVMHOQNUGYQC-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
N-(2,3-dimethylphenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-yl]acetamide
CID 9215269
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 30740971
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 113144630
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide (CID 91839835) is N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide is COc1cccc(N2CCN(CCC(=O)Nc3cccc(C)c3C)CC2=O)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide?
The InChIKey is MJPVMHOQNUGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-6-4-9-20(17(16)2)23-21(26)10-11-24-12-13-25(22(27)15-24)18-7-5-8-19(14-18)28-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide?
N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]propanamide is sourced from PubChem (CID 91839835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).