1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one

C21H30N2O — CID 134788002

IUPAC1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H30N2O/c24-20-21(14-18-8-4-5-9-19(18)15-22-20)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,22,24)
InChIKeyHMQJZYAGQXTFKJ-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.52
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one

1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one (PubChem CID 134788002) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
PubChem CID134788002
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C21H30N2O/c24-20-21(14-18-8-4-5-9-19(18)15-22-20)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,22,24)
InChIKeyHMQJZYAGQXTFKJ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one with MolForge

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Related Compounds

Epsiprantel
CID 72026
alpha,alpha-Diphenyl-1-piperidinebutanamide
CID 65573
1'-(cis-4-Isopropylcyclohexyl)-1,2-dihydro-3H-spiro[isoquinoline-4,4'-piperidin]-3-one
CID 24776407
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 14783862
Piperidine Derivative, 6f
CID 24776408
Piperidine Derivative, 6g
CID 24776409
N-methyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776411
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776412
(2S)-2-amino-2-cyclohexyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CID 23646027
N-cyclohexyl-1-(2-methylbenzoyl)-4-piperidinecarboxamide
CID 801556
MR 16728
CID 378811
4-(4-Fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohexyl]-2,8-diaza-spiro[4.5]decan-1-one
CID 11189444

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one (CID 134788002) is 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one is O=C1NCc2ccccc2CC12CCN(CC1CCCCC1)CC2.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The InChIKey is HMQJZYAGQXTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c24-20-21(14-18-8-4-5-9-19(18)15-22-20)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h4-5,8-9,17H,1-3,6-7,10-16H2,(H,22,24).
What are the key properties of 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one has a molecular weight of 326.48 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one is sourced from PubChem (CID 134788002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).