N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride

C20H26ClN3O3S — CID 119385018

IUPACN-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S.ClH/c21-9-10-22-20(25)19-16(13-17(27-19)15-7-3-1-4-8-15)26-14-18(24)23-11-5-2-6-12-23;/h1,3-4,7-8,13H,2,5-6,9-12,14,21H2,(H,22,25);1H
InChIKeyRHSQSDMVZZAXBV-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.92
Rot. Bonds7

About N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride

N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride (PubChem CID 119385018) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride
PubChem CID119385018
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S.ClH/c21-9-10-22-20(25)19-16(13-17(27-19)15-7-3-1-4-8-15)26-14-18(24)23-11-5-2-6-12-23;/h1,3-4,7-8,13H,2,5-6,9-12,14,21H2,(H,22,25);1H
InChIKeyRHSQSDMVZZAXBV-UHFFFAOYSA-N
XLogP2.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenyl-N-propan-2-ylthiophene-2-carboxamide
CID 112835143
N-[4-(furan-2-yl)butan-2-yl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
CID 55792388
N-[1-(3-nitrophenyl)ethyl]-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide
CID 55878258
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55930778
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
N-(2-aminoethyl)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480106
N-(2-aminoethyl)-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482262

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride (CID 119385018) is N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride is Cl.NCCNC(=O)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride?
The InChIKey is RHSQSDMVZZAXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c21-9-10-22-20(25)19-16(13-17(27-19)15-7-3-1-4-8-15)26-14-18(24)23-11-5-2-6-12-23;/h1,3-4,7-8,13H,2,5-6,9-12,14,21H2,(H,22,25);1H.
What are the key properties of N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-oxo-2-piperidin-1-ylethoxy)-5-phenylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119385018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).