2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone

C25H32N2O — CID 134787705

IUPAC2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
SMILESCCCN1CCCC2(Cc3ccccc3CN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C25H32N2O/c1-2-14-26-15-8-13-25(19-26)17-22-11-6-7-12-23(22)18-27(20-25)24(28)16-21-9-4-3-5-10-21/h3-7,9-12H,2,8,13-20H2,1H3
InChIKeyXQORCWQJXAAPMA-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.31
Rot. Bonds4

About 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone

2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone (PubChem CID 134787705) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
PubChem CID134787705
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
SMILESCCCN1CCCC2(Cc3ccccc3CN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C25H32N2O/c1-2-14-26-15-8-13-25(19-26)17-22-11-6-7-12-23(22)18-27(20-25)24(28)16-21-9-4-3-5-10-21/h3-7,9-12H,2,8,13-20H2,1H3
InChIKeyXQORCWQJXAAPMA-UHFFFAOYSA-N
XLogP4.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone (CID 134787705) is 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone is CCCN1CCCC2(Cc3ccccc3CN(C(=O)Cc3ccccc3)C2)C1.
What is the InChIKey of 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The InChIKey is XQORCWQJXAAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-2-14-26-15-8-13-25(19-26)17-22-11-6-7-12-23(22)18-27(20-25)24(28)16-21-9-4-3-5-10-21/h3-7,9-12H,2,8,13-20H2,1H3.
What are the key properties of 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone has a molecular weight of 376.54 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 134787705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).