[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone

C22H32N2O3S — CID 163315227

IUPAC[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2
InChIInChI=1S/C22H32N2O3S/c1-26-18-4-2-6-21(18)7-3-12-24(15-21)20(25)17-14-16-5-13-27-22(19(16)28-17)8-10-23-11-9-22/h14,18,23H,2-13,15H2,1H3/t18-,21-/m1/s1
InChIKeyYPHFUSHJWYCTLA-WIYYLYMNSA-N
MW404.58 g/mol
LogP3.32
Rot. Bonds2

About [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone (PubChem CID 163315227) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone.

Molecular Properties

Compound Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
PubChem CID163315227
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2
InChIInChI=1S/C22H32N2O3S/c1-26-18-4-2-6-21(18)7-3-12-24(15-21)20(25)17-14-16-5-13-27-22(19(16)28-17)8-10-23-11-9-22/h14,18,23H,2-13,15H2,1H3/t18-,21-/m1/s1
InChIKeyYPHFUSHJWYCTLA-WIYYLYMNSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone 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

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 164699150
8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 163315179
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 162637655
2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170509344
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
1H-imidazol-5-yl-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689152
2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170510981
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634696
5-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-pyridin-2-one
CID 164690443
(6-amino-3-pyridinyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164699317

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone?
The IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone (CID 163315227) is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone.
What is the SMILES notation for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone?
The canonical SMILES for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone is CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cc3c(s1)C1(CCNCC1)OCC3)C2.
What is the InChIKey of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone?
The InChIKey is YPHFUSHJWYCTLA-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-26-18-4-2-6-21(18)7-3-12-24(15-21)20(25)17-14-16-5-13-27-22(19(16)28-17)8-10-23-11-9-22/h14,18,23H,2-13,15H2,1H3/t18-,21-/m1/s1.
What are the key properties of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone?
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone has a molecular weight of 404.58 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone is sourced from PubChem (CID 163315227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).