4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

C17H23N3O3 — CID 4795919

IUPAC4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)16(23)19-10-15(22)20-9-8-18-14(21)11-20/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyBVQXHUQRDUFMFH-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.67
Rot. Bonds3

About 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (PubChem CID 4795919) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
PubChem CID4795919
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)16(23)19-10-15(22)20-9-8-18-14(21)11-20/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyBVQXHUQRDUFMFH-UHFFFAOYSA-N
XLogP0.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
AR-M1000390
CID 9841259
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
1-Benzoylpiperazine
CID 762654
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
2-[(4-Tert-butylphenyl)formamido]acetic acid
CID 703947
CID 137553162
CID 137553162
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (CID 4795919) is 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The InChIKey is BVQXHUQRDUFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)16(23)19-10-15(22)20-9-8-18-14(21)11-20/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 4795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).