3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

C17H21ClN2O2S — CID 119427157

IUPAC3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-13-8-5-9-18-11-13;/h2-4,6-7,10,13,18H,5,8-9,11H2,1H3,(H,19,20);1H
InChIKeyBHFOZZMMJUIKIV-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.33
Rot. Bonds4

About 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119427157) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119427157
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-13-8-5-9-18-11-13;/h2-4,6-7,10,13,18H,5,8-9,11H2,1H3,(H,19,20);1H
InChIKeyBHFOZZMMJUIKIV-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-(carbamoylamino)-5-(3,4-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077396
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)carbamoylamino]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077972
3-(carbamoylamino)-5-(2,5-dimethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 67077403
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 119427157) is 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is COc1cc(-c2ccccc2)sc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is BHFOZZMMJUIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-21-14-10-15(12-6-3-2-4-7-12)22-16(14)17(20)19-13-8-5-9-18-11-13;/h2-4,6-7,10,13,18H,5,8-9,11H2,1H3,(H,19,20);1H.
What are the key properties of 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119427157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).