N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

C18H29ClN2O2S — CID 120889336

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2csc3c2CCC(C)C3)CCNCC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-13-3-4-14-15(10-23-16(14)9-13)17(21)20-11-18(12-22-2)5-7-19-8-6-18;/h10,13,19H,3-9,11-12H2,1-2H3,(H,20,21);1H
InChIKeySODFRCZUICUFCV-UHFFFAOYSA-N
MW372.96 g/mol
LogP3.04
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 120889336) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID120889336
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2csc3c2CCC(C)C3)CCNCC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-13-3-4-14-15(10-23-16(14)9-13)17(21)20-11-18(12-22-2)5-7-19-8-6-18;/h10,13,19H,3-9,11-12H2,1-2H3,(H,20,21);1H
InChIKeySODFRCZUICUFCV-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 120889298
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
methyl 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 78850275
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[1-(aminomethyl)cyclopentyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119567655
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119558506
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride (CID 120889336) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2csc3c2CCC(C)C3)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is SODFRCZUICUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.ClH/c1-13-3-4-14-15(10-23-16(14)9-13)17(21)20-11-18(12-22-2)5-7-19-8-6-18;/h10,13,19H,3-9,11-12H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 372.96 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120889336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).