N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

C22H27N3O2 — CID 22199681

IUPACN-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1
InChIInChI=1S/C22H27N3O2/c1-16-7-9-21(10-8-16)25-12-11-24(14-17(25)2)15-22(27)23-20-6-4-5-19(13-20)18(3)26/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,27)
InChIKeyKCSYDAOEYCOVMR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.35
Rot. Bonds5

About N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 22199681) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
PubChem CID22199681
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1
InChIInChI=1S/C22H27N3O2/c1-16-7-9-21(10-8-16)25-12-11-24(14-17(25)2)15-22(27)23-20-6-4-5-19(13-20)18(3)26/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,27)
InChIKeyKCSYDAOEYCOVMR-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376696
N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376689
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063815
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (CID 22199681) is N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C)cc3)C(C)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is KCSYDAOEYCOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-7-9-21(10-8-16)25-12-11-24(14-17(25)2)15-22(27)23-20-6-4-5-19(13-20)18(3)26/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22199681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).