8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine

C25H35N3O2 — CID 130228510

IUPAC8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine
SMILESCOc1ccc(CN2CNC3(CCC(c4ccc(OC)cc4)(N(C)C)CC3)C2)cc1
InChIInChI=1S/C25H35N3O2/c1-27(2)25(21-7-11-23(30-4)12-8-21)15-13-24(14-16-25)18-28(19-26-24)17-20-5-9-22(29-3)10-6-20/h5-12,26H,13-19H2,1-4H3
InChIKeyAWXFLBKBPGMCDN-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.84
Rot. Bonds6

About 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine

8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine (PubChem CID 130228510) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine
PubChem CID130228510
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine
SMILESCOc1ccc(CN2CNC3(CCC(c4ccc(OC)cc4)(N(C)C)CC3)C2)cc1
InChIInChI=1S/C25H35N3O2/c1-27(2)25(21-7-11-23(30-4)12-8-21)15-13-24(14-16-25)18-28(19-26-24)17-20-5-9-22(29-3)10-6-20/h5-12,26H,13-19H2,1-4H3
InChIKeyAWXFLBKBPGMCDN-UHFFFAOYSA-N
XLogP3.84
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202413
3-benzyl-1,3-diazaspiro[4.4]nonane
CID 15573776
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-ol
CID 130227130
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(3-methylbut-2-enyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202429
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
CID 130202319
8-(dimethylamino)-1-(3-hydroxypropyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202565
8-(dimethylamino)-1-[(1-methoxycyclobutyl)methyl]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202569
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162216107
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine (CID 130228510) is 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine is COc1ccc(CN2CNC3(CCC(c4ccc(OC)cc4)(N(C)C)CC3)C2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine?
The InChIKey is AWXFLBKBPGMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-27(2)25(21-7-11-23(30-4)12-8-21)15-13-24(14-16-25)18-28(19-26-24)17-20-5-9-22(29-3)10-6-20/h5-12,26H,13-19H2,1-4H3.
What are the key properties of 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine?
8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine has a molecular weight of 409.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine is sourced from PubChem (CID 130228510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).