2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide

C26H32N4O3 — CID 60553736

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)C(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H32N4O3/c1-18(2)23(30-25(32)21-11-7-8-12-22(21)26(30)33)24(31)27-17-19(3)28-13-15-29(16-14-28)20-9-5-4-6-10-20/h4-12,18-19,23H,13-17H2,1-3H3,(H,27,31)
InChIKeyWTYJPTUEAUCLQM-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.63
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide (PubChem CID 60553736) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
PubChem CID60553736
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)C(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H32N4O3/c1-18(2)23(30-25(32)21-11-7-8-12-22(21)26(30)33)24(31)27-17-19(3)28-13-15-29(16-14-28)20-9-5-4-6-10-20/h4-12,18-19,23H,13-17H2,1-3H3,(H,27,31)
InChIKeyWTYJPTUEAUCLQM-UHFFFAOYSA-N
XLogP2.63
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.63
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

ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
CID 55694708
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 11088857
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111001255
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide (CID 60553736) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide is CC(C)C(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide?
The InChIKey is WTYJPTUEAUCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(2)23(30-25(32)21-11-7-8-12-22(21)26(30)33)24(31)27-17-19(3)28-13-15-29(16-14-28)20-9-5-4-6-10-20/h4-12,18-19,23H,13-17H2,1-3H3,(H,27,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide has a molecular weight of 448.57 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 60553736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).