3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

C16H21N3O2 — CID 64970727

IUPAC3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccnc1CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H21N3O2/c1-10-5-4-8-17-13(10)9-19-11(2)14(20)18-16(3,15(19)21)12-6-7-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyFSUHVXGANBWIRW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.41
Rot. Bonds3

About 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 64970727) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID64970727
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccnc1CN1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H21N3O2/c1-10-5-4-8-17-13(10)9-19-11(2)14(20)18-16(3,15(19)21)12-6-7-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyFSUHVXGANBWIRW-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]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

3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-cyclopropyl-3,6-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,5-dione
CID 106409392
3-ethyl-3,7-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 115982597
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64970801
2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098688
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64886515
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 64970923
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066
3,3,6-trimethyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64872640
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 64970696

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 64970727) is 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is Cc1cccnc1CN1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is FSUHVXGANBWIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-4-8-17-13(10)9-19-11(2)14(20)18-16(3,15(19)21)12-6-7-12/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,6-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64970727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).