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

C23H34N2O — CID 134787331

IUPACcyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C23H34N2O/c1-2-14-25-15-8-7-13-23(25)16-20-11-5-6-12-21(20)17-24(18-23)22(26)19-9-3-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3
InChIKeyGYISRHIYIQCGFD-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.40
Rot. Bonds3

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

cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone (PubChem CID 134787331) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
PubChem CID134787331
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Namecyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2
InChIInChI=1S/C23H34N2O/c1-2-14-25-15-8-7-13-23(25)16-20-11-5-6-12-21(20)17-24(18-23)22(26)19-9-3-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3
InChIKeyGYISRHIYIQCGFD-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The IUPAC name of cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone (CID 134787331) is cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone.
What is the SMILES notation for cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The canonical SMILES for cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone is CCCN1CCCCC12Cc1ccccc1CN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
The InChIKey is GYISRHIYIQCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-14-25-15-8-7-13-23(25)16-20-11-5-6-12-21(20)17-24(18-23)22(26)19-9-3-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3.
What are the key properties of cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone?
cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone has a molecular weight of 354.54 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)methanone is sourced from PubChem (CID 134787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).