6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione

C14H22N4O2 — CID 64873772

IUPAC6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-5-6-11-12(19)18(14(2,3)13(20)16-11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyPEWYYLVLVCUKHC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.83
Rot. Bonds4

About 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione

6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64873772) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64873772
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-5-6-11-12(19)18(14(2,3)13(20)16-11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,20)
InChIKeyPEWYYLVLVCUKHC-UHFFFAOYSA-N
XLogP0.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64873419
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870547

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione (CID 64873772) is 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(Cc2cnn(C)c2)C1=O.
What is the InChIKey of 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is PEWYYLVLVCUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-6-11-12(19)18(14(2,3)13(20)16-11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,20).
What are the key properties of 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).