2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide

C21H25N3O3 — CID 56574726

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-15-8-10-16(11-9-15)27-18-7-5-4-6-17(18)23-19(25)14-24-13-12-22-20(26)21(24,2)3/h4-11H,12-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCNHVLOALWXHGNP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.94
Rot. Bonds5

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 56574726) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID56574726
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCNC(=O)C2(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-15-8-10-16(11-9-15)27-18-7-5-4-6-17(18)23-19(25)14-24-13-12-22-20(26)21(24,2)3/h4-11H,12-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCNHVLOALWXHGNP-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 55463912
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055701
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 46665850
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650230
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 100643134
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 86899757
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 56574726) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CN2CCNC(=O)C2(C)C)cc1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is CNHVLOALWXHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-8-10-16(11-9-15)27-18-7-5-4-6-17(18)23-19(25)14-24-13-12-22-20(26)21(24,2)3/h4-11H,12-14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 56574726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).