cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone

C21H30N2O — CID 118740545

IUPACcyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
SMILESCN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H30N2O/c1-22-13-7-6-12-21(22)14-18-10-4-5-11-19(18)15-23(16-21)20(24)17-8-2-3-9-17/h4-5,10-11,17H,2-3,6-9,12-16H2,1H3
InChIKeyNDEHURXEHOBFJW-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.62
Rot. Bonds1

About cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone

cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone (PubChem CID 118740545) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
PubChem CID118740545
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Namecyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
SMILESCN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C21H30N2O/c1-22-13-7-6-12-21(22)14-18-10-4-5-11-19(18)15-23(16-21)20(24)17-8-2-3-9-17/h4-5,10-11,17H,2-3,6-9,12-16H2,1H3
InChIKeyNDEHURXEHOBFJW-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The IUPAC name of cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone (CID 118740545) is cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The canonical SMILES for cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone is CN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The InChIKey is NDEHURXEHOBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-22-13-7-6-12-21(22)14-18-10-4-5-11-19(18)15-23(16-21)20(24)17-8-2-3-9-17/h4-5,10-11,17H,2-3,6-9,12-16H2,1H3.
What are the key properties of cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone has a molecular weight of 326.48 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone is sourced from PubChem (CID 118740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).