(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione

C14H22N4O2 — CID 165420005

IUPAC(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCn2cccn2)[C@@H](C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-7-16-11-13(19)18(12(2)14(16)20)10-5-9-17-8-4-6-15-17/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyTVOLMRWJTWLMSN-LBPRGKRZSA-N
MW278.36 g/mol
LogP0.74
Rot. Bonds6

About (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione

(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione (PubChem CID 165420005) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
PubChem CID165420005
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCCn2cccn2)[C@@H](C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-7-16-11-13(19)18(12(2)14(16)20)10-5-9-17-8-4-6-15-17/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyTVOLMRWJTWLMSN-LBPRGKRZSA-N
XLogP0.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-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

(3S)-1-[(2-chlorophenyl)methyl]-3-methyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione
CID 165417712
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3R)-4-[(1-benzylpiperidin-4-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165424201
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3S)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165418780
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione (CID 165420005) is (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione is CCCN1CC(=O)N(CCCn2cccn2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione?
The InChIKey is TVOLMRWJTWLMSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-7-16-11-13(19)18(12(2)14(16)20)10-5-9-17-8-4-6-15-17/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione?
(3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-propyl-4-(3-pyrazol-1-ylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 165420005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).