1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

C22H24N2O4S — CID 135107584

IUPAC1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C22H24N2O4S/c25-17-3-1-2-16(13-17)24-14-15(12-20(24)26)21(27)23-8-6-22(7-9-23)18-5-11-29-19(18)4-10-28-22/h1-3,5,11,13,15,25H,4,6-10,12,14H2
InChIKeyIVQQAHCIAKYZEI-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.90
Rot. Bonds2

About 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one

1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one (PubChem CID 135107584) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
PubChem CID135107584
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C22H24N2O4S/c25-17-3-1-2-16(13-17)24-14-15(12-20(24)26)21(27)23-8-6-22(7-9-23)18-5-11-29-19(18)4-10-28-22/h1-3,5,11,13,15,25H,4,6-10,12,14H2
InChIKeyIVQQAHCIAKYZEI-UHFFFAOYSA-N
XLogP2.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
(4R)-4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 95860840
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-1-(3-hydroxyphenyl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97202403
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
CID 135117997

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one (CID 135107584) is 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(O)c2)C1)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one?
The InChIKey is IVQQAHCIAKYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c25-17-3-1-2-16(13-17)24-14-15(12-20(24)26)21(27)23-8-6-22(7-9-23)18-5-11-29-19(18)4-10-28-22/h1-3,5,11,13,15,25H,4,6-10,12,14H2.
What are the key properties of 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one?
1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one has a molecular weight of 412.51 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 135107584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).