1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C14H22N4O2 — CID 64872707

IUPAC1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)12-13(19)16-11(3)14(20)18(12)7-4-6-17-8-5-15-9-17/h5,8-12H,4,6-7H2,1-3H3,(H,16,19)
InChIKeyHDDHQUWFJHJKHU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.64
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64872707) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64872707
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C14H22N4O2/c1-10(2)12-13(19)16-11(3)14(20)18(12)7-4-6-17-8-5-15-9-17/h5,8-12H,4,6-7H2,1-3H3,(H,16,19)
InChIKeyHDDHQUWFJHJKHU-UHFFFAOYSA-N
XLogP0.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 92506044
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64874284
3,6-diethyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64885090
1-(2-cyclopentyloxyethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64971200
1-(2-methoxypropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 113383064
3-methyl-1-[2-(3-methylcyclohexyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64972282
3-ethyl-1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64881155
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 66394517

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64872707) is 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(CCCn2ccnc2)C1=O.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HDDHQUWFJHJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)12-13(19)16-11(3)14(20)18(12)7-4-6-17-8-5-15-9-17/h5,8-12H,4,6-7H2,1-3H3,(H,16,19).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).