ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride

C21H23ClN2O2S — CID 70094420

IUPACethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3ccsc23)CC1.Cl
InChIInChI=1S/C21H22N2O2S.ClH/c1-2-25-21(24)16-8-11-23(12-9-16)19-14-18(15-6-4-3-5-7-15)22-17-10-13-26-20(17)19;/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3;1H
InChIKeyAAVOJRDNSDJNRF-UHFFFAOYSA-N
MW402.95 g/mol
LogP5.16
Rot. Bonds4

About ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride

ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride (PubChem CID 70094420) has the molecular formula C21H23ClN2O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride
PubChem CID70094420
Molecular FormulaC21H23ClN2O2S
Molecular Weight402.95 g/mol
Exact Mass402.12
IUPAC Nameethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3ccsc23)CC1.Cl
InChIInChI=1S/C21H22N2O2S.ClH/c1-2-25-21(24)16-8-11-23(12-9-16)19-14-18(15-6-4-3-5-7-15)22-17-10-13-26-20(17)19;/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3;1H
InChIKeyAAVOJRDNSDJNRF-UHFFFAOYSA-N
XLogP5.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.95
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576
1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 70118258
3-(2-fluorophenyl)-1-[1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidin-4-yl]propan-1-one
CID 18465162
1-(5-phenylthieno[3,2-b]pyridin-7-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 18465159
1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206525
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 23608410
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247
ethyl 1-(4-carbamoyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxylate
CID 58872663
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 55314280
ethyl (3S)-1-[2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate
CID 33328960

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride (CID 70094420) is ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3ccsc23)CC1.Cl.
What is the InChIKey of ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is AAVOJRDNSDJNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S.ClH/c1-2-25-21(24)16-8-11-23(12-9-16)19-14-18(15-6-4-3-5-7-15)22-17-10-13-26-20(17)19;/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3;1H.
What are the key properties of ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride?
ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 70094420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).