N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride

C12H19ClN2OS — CID 71642081

IUPACN-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
SMILESCN(CC1CCCNC1)C(=O)c1cccs1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-14(9-10-4-2-6-13-8-10)12(15)11-5-3-7-16-11;/h3,5,7,10,13H,2,4,6,8-9H2,1H3;1H
InChIKeyKUPHTBFTPULTIV-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.24
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride

N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 71642081) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID71642081
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
SMILESCN(CC1CCCNC1)C(=O)c1cccs1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-14(9-10-4-2-6-13-8-10)12(15)11-5-3-7-16-11;/h3,5,7,10,13H,2,4,6,8-9H2,1H3;1H
InChIKeyKUPHTBFTPULTIV-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]thiophene-2-carboxamide
CID 119557038
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
2-[methyl-[(3S)-piperidin-3-yl]amino]-1-thiophen-2-ylethanone
CID 71641577
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
CID 71645283
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride (CID 71642081) is N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride is CN(CC1CCCNC1)C(=O)c1cccs1.Cl.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is KUPHTBFTPULTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-14(9-10-4-2-6-13-8-10)12(15)11-5-3-7-16-11;/h3,5,7,10,13H,2,4,6,8-9H2,1H3;1H.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride?
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 71642081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).