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

C20H30N2O — CID 134789096

IUPAC1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)CC)C2
InChIInChI=1S/C20H30N2O/c1-3-12-22-13-8-7-11-20(22)14-17-9-5-6-10-18(17)15-21(16-20)19(23)4-2/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3
InChIKeyYTNZZYHCFIPKLD-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.62
Rot. Bonds3

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

1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (PubChem CID 134789096) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
PubChem CID134789096
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
SMILESCCCN1CCCCC12Cc1ccccc1CN(C(=O)CC)C2
InChIInChI=1S/C20H30N2O/c1-3-12-22-13-8-7-11-20(22)14-17-9-5-6-10-18(17)15-21(16-20)19(23)4-2/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3
InChIKeyYTNZZYHCFIPKLD-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
CID 134788273
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)propan-1-one
CID 155900592
5-[1'-[2-(4-methylphenyl)ethyl]spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]-5-oxopentanoic acid
CID 134791043
1'-propylspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361033
CID 134788656
CID 134788656
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
2-methyl-1-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]propan-1-one
CID 134788644
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 134791330
N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide
CID 134787720
1-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)propan-1-one
CID 91919626
2-(benzenesulfonyl)-1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]
CID 134791387

Frequently Asked Questions

What is the IUPAC name of 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The IUPAC name of 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one (CID 134789096) is 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one.
What is the SMILES notation for 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The canonical SMILES for 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is CCCN1CCCCC12Cc1ccccc1CN(C(=O)CC)C2.
What is the InChIKey of 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
The InChIKey is YTNZZYHCFIPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-12-22-13-8-7-11-20(22)14-17-9-5-6-10-18(17)15-21(16-20)19(23)4-2/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one?
1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one is sourced from PubChem (CID 134789096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).