4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide

C24H28N4O3 — CID 108872673

IUPAC4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-16(2)15-28-22(29)20-8-7-18(14-21(20)23(28)30)25-24(31)27-11-9-26(10-12-27)19-6-4-5-17(3)13-19/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,31)
InChIKeyGMARBBPPANYXPU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.60
Rot. Bonds4

About 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide

4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide (PubChem CID 108872673) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
PubChem CID108872673
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-16(2)15-28-22(29)20-8-7-18(14-21(20)23(28)30)25-24(31)27-11-9-26(10-12-27)19-6-4-5-17(3)13-19/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,31)
InChIKeyGMARBBPPANYXPU-UHFFFAOYSA-N
XLogP3.60
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
CID 108872588
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
5-bromo-2-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 25398344
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(4-methyl-2-pyridinyl)urea
CID 108872704
N-(3,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950492

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide (CID 108872673) is 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)N(CC(C)C)C4=O)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide?
The InChIKey is GMARBBPPANYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(2)15-28-22(29)20-8-7-18(14-21(20)23(28)30)25-24(31)27-11-9-26(10-12-27)19-6-4-5-17(3)13-19/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,31).
What are the key properties of 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 108872673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).