ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate

C16H20N2O2S — CID 43781917

IUPACethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C16H20N2O2S/c1-2-20-16(19)18-8-5-13(6-9-18)17-14-3-4-15-12(11-14)7-10-21-15/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3
InChIKeyGZDPLWJQUVKFLA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.93
Rot. Bonds3

About ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate

ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate (PubChem CID 43781917) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
PubChem CID43781917
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C16H20N2O2S/c1-2-20-16(19)18-8-5-13(6-9-18)17-14-3-4-15-12(11-14)7-10-21-15/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3
InChIKeyGZDPLWJQUVKFLA-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[4-(methoxymethyl)anilino]piperidine-1-carboxylate
CID 119050059
ethyl 4-[4-(butanoylamino)anilino]piperidine-1-carboxylate
CID 112984321
ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
CID 173102328
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[4-(cyanomethyl)anilino]piperidine-1-carboxylate
CID 43786390
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate (CID 43781917) is ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc3sccc3c2)CC1.
What is the InChIKey of ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate?
The InChIKey is GZDPLWJQUVKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-20-16(19)18-8-5-13(6-9-18)17-14-3-4-15-12(11-14)7-10-21-15/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3.
What are the key properties of ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate?
ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate has a molecular weight of 304.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43781917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).