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

C20H23N3O — CID 134789298

IUPAC1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C20H23N3O/c24-19-20(12-17-4-1-2-5-18(17)13-22-19)8-3-11-23(15-20)14-16-6-9-21-10-7-16/h1-2,4-7,9-10H,3,8,11-15H2,(H,22,24)
InChIKeyUPJZOULQTBINIY-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.54
Rot. Bonds2

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

1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one (PubChem CID 134789298) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
PubChem CID134789298
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C20H23N3O/c24-19-20(12-17-4-1-2-5-18(17)13-22-19)8-3-11-23(15-20)14-16-6-9-21-10-7-16/h1-2,4-7,9-10H,3,8,11-15H2,(H,22,24)
InChIKeyUPJZOULQTBINIY-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-methylphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 134789608
1'-[(3,4-dimethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 155901788
1'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 134790743
1'-[(2-bromophenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134788937
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
1'-[(1-methylpyrrol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134788831
1'-[[4-(2-methylpropyl)phenyl]methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134791226
1'-(1H-indol-3-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134790387
1'-(3-methylbutyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134789320
1'-[(5-fluoro-2-hydroxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134788355
CID 134788312
CID 134788312
1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134788002

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one?
The IUPAC name of 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one (CID 134789298) is 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one.
What is the SMILES notation for 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one?
The canonical SMILES for 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one is O=C1NCc2ccccc2CC12CCCN(Cc1ccncc1)C2.
What is the InChIKey of 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one?
The InChIKey is UPJZOULQTBINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19-20(12-17-4-1-2-5-18(17)13-22-19)8-3-11-23(15-20)14-16-6-9-21-10-7-16/h1-2,4-7,9-10H,3,8,11-15H2,(H,22,24).
What are the key properties of 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one?
1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one has a molecular weight of 321.42 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one is sourced from PubChem (CID 134789298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).