1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one

C25H36N2O — CID 159480286

IUPAC1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one
SMILESC=C1CC(=O)Cc2ccccc2N1C1(C)CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C25H36N2O/c1-20-18-23(28)19-21-10-8-9-13-24(21)27(20)25(2)14-16-26(17-15-25)22-11-6-4-3-5-7-12-22/h8-10,13,22H,1,3-7,11-12,14-19H2,2H3
InChIKeyBFWCBFWKUHXHTQ-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.49
Rot. Bonds2

About 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one

1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one (PubChem CID 159480286) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one.

Molecular Properties

Compound Name1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one
PubChem CID159480286
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one
SMILESC=C1CC(=O)Cc2ccccc2N1C1(C)CCN(C2CCCCCCC2)CC1
InChIInChI=1S/C25H36N2O/c1-20-18-23(28)19-21-10-8-9-13-24(21)27(20)25(2)14-16-26(17-15-25)22-11-6-4-3-5-7-12-22/h8-10,13,22H,1,3-7,11-12,14-19H2,2H3
InChIKeyBFWCBFWKUHXHTQ-UHFFFAOYSA-N
XLogP5.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one with MolForge

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Related Compounds

1-(1-cyclooctylpiperidin-4-yl)-2-methylidene-4-oxo-5H-1-benzazepine-8-carboxylic acid
CID 158714002
methyl 1-(1-cyclooctylpiperidin-4-yl)-2-methylidene-4-oxo-5H-1-benzazepine-8-carboxylate
CID 158714004
8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347342
7-cyclododecyl-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one
CID 23298903
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370
1'-(4-cyclohexylcyclohexyl)spiro[1,2-dihydroisoquinoline-4,4'-piperidine]-3-one
CID 134578377
1-cycloheptyl-4,4-dimethylpiperidin-3-one
CID 117025164
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
(3aR)-3a-methyl-2-methylidene-3,4-dihydropyrrolo[1,2-a]indol-1-one
CID 162398530
2-chloroacetyl chloride;2-N-(1-cyclooctylpiperidin-4-yl)benzene-1,2-diamine;1-(1-cyclooctylpiperidin-4-yl)-2,4-dihydroquinolin-3-one;methane
CID 159417801

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one?
The IUPAC name of 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one (CID 159480286) is 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one.
What is the SMILES notation for 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one?
The canonical SMILES for 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one is C=C1CC(=O)Cc2ccccc2N1C1(C)CCN(C2CCCCCCC2)CC1.
What is the InChIKey of 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one?
The InChIKey is BFWCBFWKUHXHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-20-18-23(28)19-21-10-8-9-13-24(21)27(20)25(2)14-16-26(17-15-25)22-11-6-4-3-5-7-12-22/h8-10,13,22H,1,3-7,11-12,14-19H2,2H3.
What are the key properties of 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one?
1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one has a molecular weight of 380.58 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctyl-4-methylpiperidin-4-yl)-2-methylidene-5H-1-benzazepin-4-one is sourced from PubChem (CID 159480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).