3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C23H24N4O4 — CID 2883812

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H24N4O4/c1-25-12-14-26(15-13-25)21(29)18-8-4-5-9-19(18)24-20(28)10-11-27-22(30)16-6-2-3-7-17(16)23(27)31/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyKZJDTOUJFKVRHA-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.70
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 2883812) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID2883812
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H24N4O4/c1-25-12-14-26(15-13-25)21(29)18-8-4-5-9-19(18)24-20(28)10-11-27-22(30)16-6-2-3-7-17(16)23(27)31/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyKZJDTOUJFKVRHA-UHFFFAOYSA-N
XLogP1.70
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 2883812) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is KZJDTOUJFKVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-25-12-14-26(15-13-25)21(29)18-8-4-5-9-19(18)24-20(28)10-11-27-22(30)16-6-2-3-7-17(16)23(27)31/h2-9H,10-15H2,1H3,(H,24,28).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 2883812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).