1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione

C15H20BrN3O2 — CID 104812693

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1ccc(Br)cn1
InChIInChI=1S/C15H20BrN3O2/c1-4-15(5-2)14(21)18-10(3)13(20)19(15)9-12-7-6-11(16)8-17-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyCKHBPSQSOXYWMH-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.25
Rot. Bonds4

About 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione

1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 104812693) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID104812693
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1ccc(Br)cn1
InChIInChI=1S/C15H20BrN3O2/c1-4-15(5-2)14(21)18-10(3)13(20)19(15)9-12-7-6-11(16)8-17-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyCKHBPSQSOXYWMH-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104812683
3-[(5-bromo-2-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104809320
1-[(5-bromo-2-pyridinyl)methyl]-6-tert-butyl-3-methylpiperazine-2,5-dione
CID 104812699
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113455679
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
CID 65096559
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylpiperazin-2-one
CID 104810265
1-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 104812420
1-[(5-bromo-2-pyridinyl)methyl]-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 104812551

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione (CID 104812693) is 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is CKHBPSQSOXYWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-4-15(5-2)14(21)18-10(3)13(20)19(15)9-12-7-6-11(16)8-17-12/h6-8,10H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione?
1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 354.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 104812693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).