4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide

C25H38N4O3 — CID 86891176

IUPAC4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCC(C(=O)N1CCCCC1)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H38N4O3/c1-19(24(32)29-12-6-5-7-13-29)27-14-16-28(17-15-27)22(30)18-26-23(31)20-8-10-21(11-9-20)25(2,3)4/h8-11,19H,5-7,12-18H2,1-4H3,(H,26,31)
InChIKeyVKLWJHBNCUUMDL-UHFFFAOYSA-N
MW442.60 g/mol
LogP2.26
Rot. Bonds5

About 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 86891176) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID86891176
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCC(C(=O)N1CCCCC1)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H38N4O3/c1-19(24(32)29-12-6-5-7-13-29)27-14-16-28(17-15-27)22(30)18-26-23(31)20-8-10-21(11-9-20)25(2,3)4/h8-11,19H,5-7,12-18H2,1-4H3,(H,26,31)
InChIKeyVKLWJHBNCUUMDL-UHFFFAOYSA-N
XLogP2.26
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-tert-butyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]benzamide
CID 36802749
4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
CID 86891199
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 86890910
1-(azepan-1-yl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 162670648
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86988977
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
4-(chloromethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 113405963
4-bromo-N-[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 112806843
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide (CID 86891176) is 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide is CC(C(=O)N1CCCCC1)N1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is VKLWJHBNCUUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-19(24(32)29-12-6-5-7-13-29)27-14-16-28(17-15-27)22(30)18-26-23(31)20-8-10-21(11-9-20)25(2,3)4/h8-11,19H,5-7,12-18H2,1-4H3,(H,26,31).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 442.60 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 86891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).