N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide

C18H23N3O4 — CID 113175567

IUPACN-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)C(C)=O)cc1
InChIInChI=1S/C18H23N3O4/c1-13(22)16-4-6-17(7-5-16)21(15(3)24)12-18(25)20-10-8-19(9-11-20)14(2)23/h4-7H,8-12H2,1-3H3
InChIKeyHCRNTDITNHDNJD-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.93
Rot. Bonds4

About N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113175567) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113175567
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)C(C)=O)cc1
InChIInChI=1S/C18H23N3O4/c1-13(22)16-4-6-17(7-5-16)21(15(3)24)12-18(25)20-10-8-19(9-11-20)14(2)23/h4-7H,8-12H2,1-3H3
InChIKeyHCRNTDITNHDNJD-UHFFFAOYSA-N
XLogP0.93
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-[4-(dimethylamino)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113176665
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175895
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171494

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113175567) is N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)c1ccc(N(CC(=O)N2CCN(C(C)=O)CC2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is HCRNTDITNHDNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(22)16-4-6-17(7-5-16)21(15(3)24)12-18(25)20-10-8-19(9-11-20)14(2)23/h4-7H,8-12H2,1-3H3.
What are the key properties of N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).