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

C14H22N4O2 — CID 64873419

IUPAC3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-5-6-11-12(19)16-14(2,3)13(20)18(11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyKFSYIVYAWJVYDN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.83
Rot. Bonds4

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

3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 64873419) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID64873419
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C14H22N4O2/c1-5-6-11-12(19)16-14(2,3)13(20)18(11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,19)
InChIKeyKFSYIVYAWJVYDN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
CID 64902542
1-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
CID 104812714
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
3,3-dimethyl-6-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901967
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64875272
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione (CID 64873419) is 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(C)c1.
What is the InChIKey of 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is KFSYIVYAWJVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-6-11-12(19)16-14(2,3)13(20)18(11)9-10-7-15-17(4)8-10/h7-8,11H,5-6,9H2,1-4H3,(H,16,19).
What are the key properties of 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione?
3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-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 3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).