12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

C25H33N3O — CID 155632222

IUPAC12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCc1cccnc1CCN1CCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C25H33N3O/c1-21-6-5-14-26-23(21)9-15-27-16-12-25(13-17-27)20-28(19-24(29-25)10-11-24)18-22-7-3-2-4-8-22/h2-8,14H,9-13,15-20H2,1H3
InChIKeyFBLMYNJJAABLQR-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.83
Rot. Bonds5

About 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 155632222) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
PubChem CID155632222
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCc1cccnc1CCN1CCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C25H33N3O/c1-21-6-5-14-26-23(21)9-15-27-16-12-25(13-17-27)20-28(19-24(29-25)10-11-24)18-22-7-3-2-4-8-22/h2-8,14H,9-13,15-20H2,1H3
InChIKeyFBLMYNJJAABLQR-UHFFFAOYSA-N
XLogP3.83
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane with MolForge

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Related Compounds

12-ethyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;hydrochloride
CID 162315070
4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
CID 54004122
[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
CID 118562285
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
CID 118562460
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
[9-[2-(3-chloro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
CID 118562225
8-methyl-2-[(3-methyl-2-pyridinyl)methyl]-7-(2-piperidin-1-ylethoxy)spiro[3H-pyrido[2,3-b][1,4,5]oxathiazepine-4,1'-cyclopropane] 1-oxide
CID 146412918
3-methyl-7-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134794148

Frequently Asked Questions

What is the IUPAC name of 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (CID 155632222) is 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is Cc1cccnc1CCN1CCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2.
What is the InChIKey of 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is FBLMYNJJAABLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-21-6-5-14-26-23(21)9-15-27-16-12-25(13-17-27)20-28(19-24(29-25)10-11-24)18-22-7-3-2-4-8-22/h2-8,14H,9-13,15-20H2,1H3.
What are the key properties of 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 391.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 155632222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).