8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one

C22H35N3O3 — CID 130200574

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC1(N(C)C)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C22H35N3O3/c1-24(2)22(10-5-15-27-3)13-11-21(12-14-22)17-25(20(26)23-21)16-18-6-8-19(28-4)9-7-18/h6-9H,5,10-17H2,1-4H3,(H,23,26)
InChIKeyYORZABKEBRCBTH-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.26
Rot. Bonds8

About 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200574) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200574
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC1(N(C)C)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C22H35N3O3/c1-24(2)22(10-5-15-27-3)13-11-21(12-14-22)17-25(20(26)23-21)16-18-6-8-19(28-4)9-7-18/h6-9H,5,10-17H2,1-4H3,(H,23,26)
InChIKeyYORZABKEBRCBTH-UHFFFAOYSA-N
XLogP3.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one 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

3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 155655261
(7R)-7-(dimethylamino)-1-[(4-methoxyphenyl)methyl]-7-(3-methoxypropyl)-3-methyl-1,3-diazacycloundecan-2-one
CID 170235663
8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
CID 137407670
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one
CID 162057655
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
8-(dimethylamino)-1-(5-methoxy-2-oxopentyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 159230550
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
CID 142987888
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130200574) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one is COCCCC1(N(C)C)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YORZABKEBRCBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-24(2)22(10-5-15-27-3)13-11-21(12-14-22)17-25(20(26)23-21)16-18-6-8-19(28-4)9-7-18/h6-9H,5,10-17H2,1-4H3,(H,23,26).
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 389.54 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).