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

C23H28N2O — CID 134790585

IUPACphenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
SMILESCCCN1CCC2(Cc3ccccc3CN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C23H28N2O/c1-2-13-24-14-12-23(17-24)15-20-10-6-7-11-21(20)16-25(18-23)22(26)19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyWOYBPHYJSLHIKN-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.99
Rot. Bonds3

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

phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone (PubChem CID 134790585) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
PubChem CID134790585
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Namephenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
SMILESCCCN1CCC2(Cc3ccccc3CN(C(=O)c3ccccc3)C2)C1
InChIInChI=1S/C23H28N2O/c1-2-13-24-14-12-23(17-24)15-20-10-6-7-11-21(20)16-25(18-23)22(26)19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyWOYBPHYJSLHIKN-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197
CID 134790612
CID 134790612
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
1-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]butan-1-one
CID 134787226
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
(2S)-2-phenyl-1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]propan-1-one
CID 134789678
2-(4-methoxyphenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 134788121
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 134789096

Frequently Asked Questions

What is the IUPAC name of phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The IUPAC name of phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone (CID 134790585) is phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone.
What is the SMILES notation for phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The canonical SMILES for phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone is CCCN1CCC2(Cc3ccccc3CN(C(=O)c3ccccc3)C2)C1.
What is the InChIKey of phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
The InChIKey is WOYBPHYJSLHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-13-24-14-12-23(17-24)15-20-10-6-7-11-21(20)16-25(18-23)22(26)19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3.
What are the key properties of phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone?
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone is sourced from PubChem (CID 134790585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).