1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one

C23H28N2O — CID 119768937

IUPAC1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1Cc2ccccc2-c2ccccc2C1)C1CCNCC1
InChIInChI=1S/C23H28N2O/c1-17(18-10-12-24-13-11-18)14-23(26)25-15-19-6-2-4-8-21(19)22-9-5-3-7-20(22)16-25/h2-9,17-18,24H,10-16H2,1H3
InChIKeyMHRPRJBURCIWSY-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.22
Rot. Bonds3

About 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one

1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119768937) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119768937
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1Cc2ccccc2-c2ccccc2C1)C1CCNCC1
InChIInChI=1S/C23H28N2O/c1-17(18-10-12-24-13-11-18)14-23(26)25-15-19-6-2-4-8-21(19)22-9-5-3-7-20(22)16-25/h2-9,17-18,24H,10-16H2,1H3
InChIKeyMHRPRJBURCIWSY-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one with MolForge

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Related Compounds

1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylbutan-1-one
CID 119733383
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119828414
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119756701
1-(2-methyl-6-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119751371
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
1-(4-benzylsulfonylpiperazin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119687248

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one (CID 119768937) is 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1Cc2ccccc2-c2ccccc2C1)C1CCNCC1.
What is the InChIKey of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is MHRPRJBURCIWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17(18-10-12-24-13-11-18)14-23(26)25-15-19-6-2-4-8-21(19)22-9-5-3-7-20(22)16-25/h2-9,17-18,24H,10-16H2,1H3.
What are the key properties of 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one?
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one has a molecular weight of 348.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119768937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).