2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

C22H25N3O5 — CID 41281853

IUPAC2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C22H25N3O5/c1-14-4-6-16(7-5-14)24-20(26)13-19-21(27)23-8-9-25(19)22(28)15-10-17(29-2)12-18(11-15)30-3/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyCXEOKUGHNGUYTN-IBGZPJMESA-N
MW411.46 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 41281853) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID41281853
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C22H25N3O5/c1-14-4-6-16(7-5-14)24-20(26)13-19-21(27)23-8-9-25(19)22(28)15-10-17(29-2)12-18(11-15)30-3/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyCXEOKUGHNGUYTN-IBGZPJMESA-N
XLogP1.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2813215
2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 97033698
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide (CID 41281853) is 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide is COc1cc(OC)cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is CXEOKUGHNGUYTN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-4-6-16(7-5-14)24-20(26)13-19-21(27)23-8-9-25(19)22(28)15-10-17(29-2)12-18(11-15)30-3/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide?
2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3,5-dimethoxybenzoyl)-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 41281853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).