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

C25H38N2O — CID 134788343

IUPAC1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C25H38N2O/c1-20(2)24(28)27-17-23-12-7-6-11-22(23)15-25(19-27)13-8-14-26(18-25)16-21-9-4-3-5-10-21/h6-7,11-12,20-21H,3-5,8-10,13-19H2,1-2H3
InChIKeyFVEMXAZRBCKZPS-UHFFFAOYSA-N
MW382.59 g/mol
LogP4.89
Rot. Bonds3

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

1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one (PubChem CID 134788343) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one
PubChem CID134788343
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C25H38N2O/c1-20(2)24(28)27-17-23-12-7-6-11-22(23)15-25(19-27)13-8-14-26(18-25)16-21-9-4-3-5-10-21/h6-7,11-12,20-21H,3-5,8-10,13-19H2,1-2H3
InChIKeyFVEMXAZRBCKZPS-UHFFFAOYSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
N-(1-phenethyl-4-piperidyl)-N-benzylpropanamide
CID 14129724
N-(1-Benzyl-4-piperidyl)-N-benzylpropanamide
CID 14129733
N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 168279924
N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 168296913
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(1-phenylethyl)propanamide
CID 156782597
N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2930928
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-methylacetamide
CID 9993507
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,3-dimethylbutanamide
CID 14107044

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one (CID 134788343) is 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCCC3)C2)C1.
What is the InChIKey of 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one?
The InChIKey is FVEMXAZRBCKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c1-20(2)24(28)27-17-23-12-7-6-11-22(23)15-25(19-27)13-8-14-26(18-25)16-21-9-4-3-5-10-21/h6-7,11-12,20-21H,3-5,8-10,13-19H2,1-2H3.
What are the key properties of 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one?
1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one has a molecular weight of 382.59 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(cyclohexylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 134788343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).