1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione

C20H26N2O2 — CID 21448171

IUPAC1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c23-19-9-6-10-20(24)22(19)14-5-4-13-21-15-11-18(12-16-21)17-7-2-1-3-8-17/h1-3,7-8,11H,4-6,9-10,12-16H2
InChIKeyFAHKKDHQFFSLNP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione

1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione (PubChem CID 21448171) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
PubChem CID21448171
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c23-19-9-6-10-20(24)22(19)14-5-4-13-21-15-11-18(12-16-21)17-7-2-1-3-8-17/h1-3,7-8,11H,4-6,9-10,12-16H2
InChIKeyFAHKKDHQFFSLNP-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione (CID 21448171) is 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione?
The InChIKey is FAHKKDHQFFSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-9-6-10-20(24)22(19)14-5-4-13-21-15-11-18(12-16-21)17-7-2-1-3-8-17/h1-3,7-8,11H,4-6,9-10,12-16H2.
What are the key properties of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione?
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione has a molecular weight of 326.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione is sourced from PubChem (CID 21448171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).