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

C24H26N4O4 — CID 2883170

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N4O4/c1-26-13-15-27(16-14-26)22(30)19-9-4-5-10-20(19)25-21(29)11-6-12-28-23(31)17-7-2-3-8-18(17)24(28)32/h2-5,7-10H,6,11-16H2,1H3,(H,25,29)
InChIKeyIENGVWAPSPQHSM-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.09
Rot. Bonds6

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

4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide (PubChem CID 2883170) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
PubChem CID2883170
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H26N4O4/c1-26-13-15-27(16-14-26)22(30)19-9-4-5-10-20(19)25-21(29)11-6-12-28-23(31)17-7-2-3-8-18(17)24(28)32/h2-5,7-10H,6,11-16H2,1H3,(H,25,29)
InChIKeyIENGVWAPSPQHSM-UHFFFAOYSA-N
XLogP2.09
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 30442450
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
2-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108534445
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
2-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108533634
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933494

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide (CID 2883170) is 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide is CN1CCN(C(=O)c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
The InChIKey is IENGVWAPSPQHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-26-13-15-27(16-14-26)22(30)19-9-4-5-10-20(19)25-21(29)11-6-12-28-23(31)17-7-2-3-8-18(17)24(28)32/h2-5,7-10H,6,11-16H2,1H3,(H,25,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide has a molecular weight of 434.50 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 2883170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).