4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione

C24H29N3O3 — CID 19813058

IUPAC4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione
SMILESO=C1CNc2ccccc2C(=O)N1CCCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c28-22-18-25-21-11-5-4-10-20(21)23(29)27(22)15-7-6-14-26-16-12-24(30,13-17-26)19-8-2-1-3-9-19/h1-5,8-11,25,30H,6-7,12-18H2
InChIKeyUUPAARWFMFZBHL-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.84
Rot. Bonds6

About 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione

4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione (PubChem CID 19813058) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione.

Molecular Properties

Compound Name4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione
PubChem CID19813058
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione
SMILESO=C1CNc2ccccc2C(=O)N1CCCCN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O3/c28-22-18-25-21-11-5-4-10-20(21)23(29)27(22)15-7-6-14-26-16-12-24(30,13-17-26)19-8-2-1-3-9-19/h1-5,8-11,25,30H,6-7,12-18H2
InChIKeyUUPAARWFMFZBHL-UHFFFAOYSA-N
XLogP2.84
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione?
The IUPAC name of 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione (CID 19813058) is 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione.
What is the SMILES notation for 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione?
The canonical SMILES for 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione is O=C1CNc2ccccc2C(=O)N1CCCCN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione?
The InChIKey is UUPAARWFMFZBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22-18-25-21-11-5-4-10-20(21)23(29)27(22)15-7-6-14-26-16-12-24(30,13-17-26)19-8-2-1-3-9-19/h1-5,8-11,25,30H,6-7,12-18H2.
What are the key properties of 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione?
4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione has a molecular weight of 407.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-1,2-dihydro-1,4-benzodiazepine-3,5-dione is sourced from PubChem (CID 19813058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).