1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C23H30N2O5 — CID 108734708

IUPAC1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOCCN1CC(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(C)c2O3)CC1=O
InChIInChI=1S/C23H30N2O5/c1-15-10-16(2)21-18(11-15)19(26)13-23(30-21)4-6-24(7-5-23)22(28)17-12-20(27)25(14-17)8-9-29-3/h10-11,17H,4-9,12-14H2,1-3H3
InChIKeySVNRUKLJCYPRKC-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.12
Rot. Bonds4

About 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734708) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734708
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOCCN1CC(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(C)c2O3)CC1=O
InChIInChI=1S/C23H30N2O5/c1-15-10-16(2)21-18(11-15)19(26)13-23(30-21)4-6-24(7-5-23)22(28)17-12-20(27)25(14-17)8-9-29-3/h10-11,17H,4-9,12-14H2,1-3H3
InChIKeySVNRUKLJCYPRKC-UHFFFAOYSA-N
XLogP2.12
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-[2-(2-methoxyethoxy)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734649
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
1'-[2-(1-adamantyl)acetyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757934
1'-(adamantane-1-carbonyl)-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734656
1-(2-methoxyethyl)-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56798394
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
6,8-dimethyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734745
(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108810019
1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346317

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734708) is 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is COCCN1CC(C(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(C)c2O3)CC1=O.
What is the InChIKey of 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SVNRUKLJCYPRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-15-10-16(2)21-18(11-15)19(26)13-23(30-21)4-6-24(7-5-23)22(28)17-12-20(27)25(14-17)8-9-29-3/h10-11,17H,4-9,12-14H2,1-3H3.
What are the key properties of 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 414.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-6,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).