2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide

C21H23N3O3 — CID 121495348

IUPAC2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1cccc(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)23-20(26)18-9-4-3-8-17(18)15-6-5-7-16(12-15)21(27)24-11-10-22-19(25)13-24/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCVGFSWALDLYNES-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.06
Rot. Bonds4

About 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide

2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide (PubChem CID 121495348) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
PubChem CID121495348
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1-c1cccc(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)23-20(26)18-9-4-3-8-17(18)15-6-5-7-16(12-15)21(27)24-11-10-22-19(25)13-24/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCVGFSWALDLYNES-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide (CID 121495348) is 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1-c1cccc(C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide?
The InChIKey is CVGFSWALDLYNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)23-20(26)18-9-4-3-8-17(18)15-6-5-7-16(12-15)21(27)24-11-10-22-19(25)13-24/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide?
2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 121495348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).