4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one

C21H25N3O2 — CID 54004122

IUPAC4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)Oc2ncccc2C1=O
InChIInChI=1S/C21H25N3O2/c1-23-16-21(26-19-18(20(23)25)8-5-12-22-19)10-14-24(15-11-21)13-9-17-6-3-2-4-7-17/h2-8,12H,9-11,13-16H2,1H3
InChIKeyKNQLERGRALTETK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.62
Rot. Bonds3

About 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one

4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one (PubChem CID 54004122) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
PubChem CID54004122
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
SMILESCN1CC2(CCN(CCc3ccccc3)CC2)Oc2ncccc2C1=O
InChIInChI=1S/C21H25N3O2/c1-23-16-21(26-19-18(20(23)25)8-5-12-22-19)10-14-24(15-11-21)13-9-17-6-3-2-4-7-17/h2-8,12H,9-11,13-16H2,1H3
InChIKeyKNQLERGRALTETK-UHFFFAOYSA-N
XLogP2.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one with MolForge

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Related Compounds

2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
2-(2-hydroxyethyl)-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561038
12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 155632222
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 126744952
8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
CID 162315070
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione
CID 146160314
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one?
The IUPAC name of 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one (CID 54004122) is 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one.
What is the SMILES notation for 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one?
The canonical SMILES for 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one is CN1CC2(CCN(CCc3ccccc3)CC2)Oc2ncccc2C1=O.
What is the InChIKey of 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one?
The InChIKey is KNQLERGRALTETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-16-21(26-19-18(20(23)25)8-5-12-22-19)10-14-24(15-11-21)13-9-17-6-3-2-4-7-17/h2-8,12H,9-11,13-16H2,1H3.
What are the key properties of 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one?
4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one has a molecular weight of 351.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one is sourced from PubChem (CID 54004122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).