1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C12H18N4O2 — CID 64970996

IUPAC1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(Cc2nccn2C)C1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)11-12(18)16(7-10(17)14-11)6-9-13-4-5-15(9)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,17)
InChIKeyCIIAFEMSGJONLJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.10
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64970996) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64970996
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(Cc2nccn2C)C1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)11-12(18)16(7-10(17)14-11)6-9-13-4-5-15(9)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,17)
InChIKeyCIIAFEMSGJONLJ-UHFFFAOYSA-N
XLogP-0.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 166202423
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
CID 114112313
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114702104
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 114531954
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64878983

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64970996) is 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(Cc2nccn2C)C1=O.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CIIAFEMSGJONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)11-12(18)16(7-10(17)14-11)6-9-13-4-5-15(9)3/h4-5,8,11H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64970996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).