4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide

C23H25N3O3 — CID 110362135

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H25N3O3/c27-21(24-17-8-6-9-18(16-17)25-13-4-1-5-14-25)12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27)
InChIKeyMNNHXDCKSYWAFL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.69
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide (PubChem CID 110362135) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
PubChem CID110362135
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H25N3O3/c27-21(24-17-8-6-9-18(16-17)25-13-4-1-5-14-25)12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27)
InChIKeyMNNHXDCKSYWAFL-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.69
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-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
CID 110361837
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122295907
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide (CID 110362135) is 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide?
The InChIKey is MNNHXDCKSYWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-21(24-17-8-6-9-18(16-17)25-13-4-1-5-14-25)12-7-15-26-22(28)19-10-2-3-11-20(19)23(26)29/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,27).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide has a molecular weight of 391.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 110362135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).