8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

C22H29N3O — CID 97372599

IUPAC8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-26-21-7-5-19(6-8-21)17-24-14-10-22(11-15-24)9-3-13-25(22)18-20-4-2-12-23-16-20/h2,4-8,12,16H,3,9-11,13-15,17-18H2,1H3
InChIKeySAEWQEMMJPQWQZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.72
Rot. Bonds5

About 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97372599) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97372599
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-26-21-7-5-19(6-8-21)17-24-14-10-22(11-15-24)9-3-13-25(22)18-20-4-2-12-23-16-20/h2,4-8,12,16H,3,9-11,13-15,17-18H2,1H3
InChIKeySAEWQEMMJPQWQZ-UHFFFAOYSA-N
XLogP3.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[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-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
N-methyl-2-[8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97396905
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
1-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824811
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
(6S)-8-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492001
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 97372599) is 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is COc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is SAEWQEMMJPQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-26-21-7-5-19(6-8-21)17-24-14-10-22(11-15-24)9-3-13-25(22)18-20-4-2-12-23-16-20/h2,4-8,12,16H,3,9-11,13-15,17-18H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 351.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97372599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).