8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C22H29N3O — CID 97449576

IUPAC8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)C3)c1
InChIInChI=1S/C22H29N3O/c1-26-21-7-4-5-19(15-21)16-24-12-8-22(9-13-24)10-14-25(18-22)17-20-6-2-3-11-23-20/h2-7,11,15H,8-10,12-14,16-18H2,1H3
InChIKeyHUMGGTDMGQBZNM-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.58
Rot. Bonds5

About 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 97449576) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID97449576
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)C3)c1
InChIInChI=1S/C22H29N3O/c1-26-21-7-4-5-19(15-21)16-24-12-8-22(9-13-24)10-14-25(18-22)17-20-6-2-3-11-23-20/h2-7,11,15H,8-10,12-14,16-18H2,1H3
InChIKeyHUMGGTDMGQBZNM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147418
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 97482697
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
8-[(3-methoxyphenyl)methyl]-2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849573
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 97449576) is 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is COc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)C3)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is HUMGGTDMGQBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-26-21-7-4-5-19(15-21)16-24-12-8-22(9-13-24)10-14-25(18-22)17-20-6-2-3-11-23-20/h2-7,11,15H,8-10,12-14,16-18H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 351.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97449576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).