ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate

C22H27NO3S — CID 25167286

IUPACethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
SMILESCCOC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H27NO3S/c1-2-25-21(24)15-18-14-20-19(8-13-27-20)22(26-18)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-8,13,18H,2,9-12,14-16H2,1H3
InChIKeyBVOZTBCOMSOLRD-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.13
Rot. Bonds5

About ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate

ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate (PubChem CID 25167286) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
PubChem CID25167286
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC Nameethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
SMILESCCOC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H27NO3S/c1-2-25-21(24)15-18-14-20-19(8-13-27-20)22(26-18)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-8,13,18H,2,9-12,14-16H2,1H3
InChIKeyBVOZTBCOMSOLRD-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate with MolForge

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Related Compounds

1'-benzyl-3-ethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 11782688
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676938
ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
CID 22613816
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
1-[4-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]-1-yl)phenyl]ethanone
CID 56652225
ethyl 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900626
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
1-benzyl-4-(2-methylphenyl)piperidine-4-carbonitrile;ethyl 4-cyano-4-(2-methylphenyl)piperidine-1-carboxylate
CID 160518794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate?
The IUPAC name of ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate (CID 25167286) is ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate.
What is the SMILES notation for ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate?
The canonical SMILES for ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate is CCOC(=O)CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate?
The InChIKey is BVOZTBCOMSOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-2-25-21(24)15-18-14-20-19(8-13-27-20)22(26-18)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-8,13,18H,2,9-12,14-16H2,1H3.
What are the key properties of ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate?
ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate has a molecular weight of 385.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate is sourced from PubChem (CID 25167286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).