8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C20H24N2O2 — CID 42851797

IUPAC8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c1
InChIInChI=1S/C20H24N2O2/c1-16-3-2-4-18(11-16)19-12-17(13-21-14-19)15-22-7-5-20(6-8-22)23-9-10-24-20/h2-4,11-14H,5-10,15H2,1H3
InChIKeyXQZKNTPDMMBPHD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.40
Rot. Bonds3

About 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 42851797) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID42851797
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c1
InChIInChI=1S/C20H24N2O2/c1-16-3-2-4-18(11-16)19-12-17(13-21-14-19)15-22-7-5-20(6-8-22)23-9-10-24-20/h2-4,11-14H,5-10,15H2,1H3
InChIKeyXQZKNTPDMMBPHD-UHFFFAOYSA-N
XLogP3.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044504
8-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044536
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091088
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
N-(3-methylphenyl)-N-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352531
(3,5-dimethylphenyl)-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724922
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
8-[6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53156011
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 21352355

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 42851797) is 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)c1.
What is the InChIKey of 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XQZKNTPDMMBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-3-2-4-18(11-16)19-12-17(13-21-14-19)15-22-7-5-20(6-8-22)23-9-10-24-20/h2-4,11-14H,5-10,15H2,1H3.
What are the key properties of 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 324.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 42851797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).