4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one

C15H21N3O2 — CID 63606608

IUPAC4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCCNc1ccccc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H21N3O2/c1-4-16-12-8-6-5-7-11(12)13(19)18-10-9-17-14(20)15(18,2)3/h5-8,16H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyQCVSHQUHCAWQGV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.47
Rot. Bonds3

About 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one

4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63606608) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63606608
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
SMILESCCNc1ccccc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H21N3O2/c1-4-16-12-8-6-5-7-11(12)13(19)18-10-9-17-14(20)15(18,2)3/h5-8,16H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyQCVSHQUHCAWQGV-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one (CID 63606608) is 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one is CCNc1ccccc1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is QCVSHQUHCAWQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-16-12-8-6-5-7-11(12)13(19)18-10-9-17-14(20)15(18,2)3/h5-8,16H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one?
4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63606608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).