ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate

C14H19N3O2S — CID 18692985

IUPACethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)Cc1ccsc1C(N)=N2
InChIInChI=1S/C14H19N3O2S/c1-2-19-13(18)17-6-4-14(5-7-17)9-10-3-8-20-11(10)12(15)16-14/h3,8H,2,4-7,9H2,1H3,(H2,15,16)
InChIKeyOLALTCCCZUIPTQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds1

About ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate

ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate (PubChem CID 18692985) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate
PubChem CID18692985
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)Cc1ccsc1C(N)=N2
InChIInChI=1S/C14H19N3O2S/c1-2-19-13(18)17-6-4-14(5-7-17)9-10-3-8-20-11(10)12(15)16-14/h3,8H,2,4-7,9H2,1H3,(H2,15,16)
InChIKeyOLALTCCCZUIPTQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47148348
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ethyl 4-thieno[3,2-c]pyridin-4-ylpiperidine-1-carboxylate
CID 18399709
butyl 4-(dimethylamino)-4-thiophen-2-ylpiperidine-1-carboxylate
CID 172683680
ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
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ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67568850
ethyl 4-[N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111164307
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
ethyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494878
butyl 4-(3-chloro-4-pyridinyl)-4-cyanopiperidine-1-carboxylate
CID 175854366

Frequently Asked Questions

What is the IUPAC name of ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate (CID 18692985) is ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)Cc1ccsc1C(N)=N2.
What is the InChIKey of ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate?
The InChIKey is OLALTCCCZUIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-19-13(18)17-6-4-14(5-7-17)9-10-3-8-20-11(10)12(15)16-14/h3,8H,2,4-7,9H2,1H3,(H2,15,16).
What are the key properties of ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate?
ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-aminospiro[4H-thieno[2,3-c]pyridine-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 18692985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).