N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

C23H25N3O3 — CID 119773965

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCCNC1
InChIInChI=1S/C23H25N3O3/c1-15(16-6-5-11-24-14-16)12-21(27)25-17-7-4-8-18(13-17)26-22(28)19-9-2-3-10-20(19)23(26)29/h2-4,7-10,13,15-16,24H,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeyUXVXWCFOYZOYTI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119773965) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119773965
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCCNC1
InChIInChI=1S/C23H25N3O3/c1-15(16-6-5-11-24-14-16)12-21(27)25-17-7-4-8-18(13-17)26-22(28)19-9-2-3-10-20(19)23(26)29/h2-4,7-10,13,15-16,24H,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeyUXVXWCFOYZOYTI-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (CID 119773965) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCCNC1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is UXVXWCFOYZOYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(16-6-5-11-24-14-16)12-21(27)25-17-7-4-8-18(13-17)26-22(28)19-9-2-3-10-20(19)23(26)29/h2-4,7-10,13,15-16,24H,5-6,11-12,14H2,1H3,(H,25,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 391.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119773965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).