N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide

C19H27N3O3 — CID 34839400

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-9-11-22(12-10-21)17(24)13-20-18(25)15-5-7-16(8-6-15)19(2,3)4/h5-8H,9-13H2,1-4H3,(H,20,25)
InChIKeyARBWIWKILUEQMC-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.40
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide (PubChem CID 34839400) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
PubChem CID34839400
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
SMILESCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14(23)21-9-11-22(12-10-21)17(24)13-20-18(25)15-5-7-16(8-6-15)19(2,3)4/h5-8H,9-13H2,1-4H3,(H,20,25)
InChIKeyARBWIWKILUEQMC-UHFFFAOYSA-N
XLogP1.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
4-tert-butyl-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 26870631
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-tert-butyl-N-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46456024
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide (CID 34839400) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide is CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide?
The InChIKey is ARBWIWKILUEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)21-9-11-22(12-10-21)17(24)13-20-18(25)15-5-7-16(8-6-15)19(2,3)4/h5-8H,9-13H2,1-4H3,(H,20,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 34839400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).