1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

C20H26N2O6 — CID 113188506

IUPAC1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)c(OC)c1
InChIInChI=1S/C20H26N2O6/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)21-7-5-20(6-8-21)27-9-10-28-20/h3-4,12,14H,5-11,13H2,1-2H3
InChIKeyPOEWOZIQEADABG-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.42
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (PubChem CID 113188506) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
PubChem CID113188506
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)c(OC)c1
InChIInChI=1S/C20H26N2O6/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)21-7-5-20(6-8-21)27-9-10-28-20/h3-4,12,14H,5-11,13H2,1-2H3
InChIKeyPOEWOZIQEADABG-UHFFFAOYSA-N
XLogP1.42
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 46589862
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
(4R)-1-(2,4-dimethoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 39312119
1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113190973
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 55586204
4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 136554136
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 95098414
(4S)-1-(2,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 31370542
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (CID 113188506) is 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The InChIKey is POEWOZIQEADABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-25-15-3-4-16(17(12-15)26-2)22-13-14(11-18(22)23)19(24)21-7-5-20(6-8-21)27-9-10-28-20/h3-4,12,14H,5-11,13H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one has a molecular weight of 390.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113188506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).