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

C24H30N2O — CID 134787255

IUPAC1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone
SMILESCCN1CCCCC12Cc1ccccc1CN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C24H30N2O/c1-2-26-15-9-8-14-24(26)17-21-12-6-7-13-22(21)18-25(19-24)23(27)16-20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3
InChIKeyFXDAYMNNEWXION-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.06
Rot. Bonds3

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

1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone (PubChem CID 134787255) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone
PubChem CID134787255
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone
SMILESCCN1CCCCC12Cc1ccccc1CN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C24H30N2O/c1-2-26-15-9-8-14-24(26)17-21-12-6-7-13-22(21)18-25(19-24)23(27)16-20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3
InChIKeyFXDAYMNNEWXION-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone with MolForge

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Related Compounds

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(2,6-Dimethyl-phenyl)-(4-{4-[1-(4-iodo-phenyl)-ethyl]-3-methyl-piperazin-1-yl}-4-methyl-piperidin-1-yl)-methanone
CID 456372
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CID 10410240
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
1-Benzoyl-4-(2-phenylethyl)piperazine
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CID 692800

Frequently Asked Questions

What is the IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone (CID 134787255) is 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone is CCN1CCCCC12Cc1ccccc1CN(C(=O)Cc1ccccc1)C2.
What is the InChIKey of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone?
The InChIKey is FXDAYMNNEWXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-26-15-9-8-14-24(26)17-21-12-6-7-13-22(21)18-25(19-24)23(27)16-20-10-4-3-5-11-20/h3-7,10-13H,2,8-9,14-19H2,1H3.
What are the key properties of 1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone?
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-phenylethanone has a molecular weight of 362.52 g/mol, XLogP of 4.06, 3 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)-2-phenylethanone is sourced from PubChem (CID 134787255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).