1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one

C23H28N2O — CID 70076730

IUPAC1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one
SMILESCCC(c1ccccc1)N1c2ccccc2C(=O)CCC12CCNCC2
InChIInChI=1S/C23H28N2O/c1-2-20(18-8-4-3-5-9-18)25-21-11-7-6-10-19(21)22(26)12-13-23(25)14-16-24-17-15-23/h3-11,20,24H,2,12-17H2,1H3
InChIKeyFFWPDEMGIHRUMK-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.74
Rot. Bonds3

About 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one

1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one (PubChem CID 70076730) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one
PubChem CID70076730
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one
SMILESCCC(c1ccccc1)N1c2ccccc2C(=O)CCC12CCNCC2
InChIInChI=1S/C23H28N2O/c1-2-20(18-8-4-3-5-9-18)25-21-11-7-6-10-19(21)22(26)12-13-23(25)14-16-24-17-15-23/h3-11,20,24H,2,12-17H2,1H3
InChIKeyFFWPDEMGIHRUMK-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695
3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996093
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
1-ethyl-2H-indol-3-one
CID 22323565
1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
CID 59674661
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one?
The IUPAC name of 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one (CID 70076730) is 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one.
What is the SMILES notation for 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one?
The canonical SMILES for 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one is CCC(c1ccccc1)N1c2ccccc2C(=O)CCC12CCNCC2.
What is the InChIKey of 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one?
The InChIKey is FFWPDEMGIHRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-20(18-8-4-3-5-9-18)25-21-11-7-6-10-19(21)22(26)12-13-23(25)14-16-24-17-15-23/h3-11,20,24H,2,12-17H2,1H3.
What are the key properties of 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one?
1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one has a molecular weight of 348.49 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropyl)spiro[3,4-dihydro-1-benzazepine-2,4'-piperidine]-5-one is sourced from PubChem (CID 70076730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).