1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one

C19H28N2O — CID 134789635

IUPAC1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCCC(=O)N1Cc2ccccc2CC2(CCCCN2CC)C1
InChIInChI=1S/C19H28N2O/c1-3-18(22)20-14-17-10-6-5-9-16(17)13-19(15-20)11-7-8-12-21(19)4-2/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3
InChIKeyCAFQKGSALBWJKE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.23
Rot. Bonds2

About 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one

1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (PubChem CID 134789635) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
PubChem CID134789635
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCCC(=O)N1Cc2ccccc2CC2(CCCCN2CC)C1
InChIInChI=1S/C19H28N2O/c1-3-18(22)20-14-17-10-6-5-9-16(17)13-19(15-20)11-7-8-12-21(19)4-2/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3
InChIKeyCAFQKGSALBWJKE-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (CID 134789635) is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.
What is the SMILES notation for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The canonical SMILES for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is CCC(=O)N1Cc2ccccc2CC2(CCCCN2CC)C1.
What is the InChIKey of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The InChIKey is CAFQKGSALBWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-18(22)20-14-17-10-6-5-9-16(17)13-19(15-20)11-7-8-12-21(19)4-2/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is sourced from PubChem (CID 134789635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).