1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione

C19H29N3O3 — CID 168839101

IUPAC1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESCC(C)N1CCN(C(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-9-11-21(12-10-20)19(25)16-5-3-15(4-6-16)13-22-17(23)7-8-18(22)24/h7-8,14-16H,3-6,9-13H2,1-2H3
InChIKeyMGEAZBMVYONTIE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.27
Rot. Bonds4

About 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione

1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione (PubChem CID 168839101) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
PubChem CID168839101
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione
SMILESCC(C)N1CCN(C(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)20-9-11-21(12-10-20)19(25)16-5-3-15(4-6-16)13-22-17(23)7-8-18(22)24/h7-8,14-16H,3-6,9-13H2,1-2H3
InChIKeyMGEAZBMVYONTIE-UHFFFAOYSA-N
XLogP1.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione (CID 168839101) is 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione is CC(C)N1CCN(C(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CC1.
What is the InChIKey of 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
The InChIKey is MGEAZBMVYONTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)20-9-11-21(12-10-20)19(25)16-5-3-15(4-6-16)13-22-17(23)7-8-18(22)24/h7-8,14-16H,3-6,9-13H2,1-2H3.
What are the key properties of 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione?
1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione has a molecular weight of 347.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 168839101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).