4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride

C16H25ClN2O2S — CID 119803415

IUPAC4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2sc3c(c2C)CCCC3)CCNCC1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-11-12-5-3-4-6-13(12)21-14(11)18-15(19)16(20-2)7-9-17-10-8-16;/h17H,3-10H2,1-2H3,(H,18,19);1H
InChIKeyMUPYLKNTINBRJU-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.06
Rot. Bonds3

About 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119803415) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119803415
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2sc3c(c2C)CCCC3)CCNCC1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-11-12-5-3-4-6-13(12)21-14(11)18-15(19)16(20-2)7-9-17-10-8-16;/h17H,3-10H2,1-2H3,(H,18,19);1H
InChIKeyMUPYLKNTINBRJU-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119679205
2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 119803433
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide
CID 119334902
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
CID 119334886
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 119803404
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
4-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 120563386
2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418
methyl 3-[(4-methoxypiperidine-4-carbonyl)amino]-5-methylsulfonylbenzoate;hydrochloride
CID 119814788

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride (CID 119803415) is 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2sc3c(c2C)CCCC3)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MUPYLKNTINBRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-11-12-5-3-4-6-13(12)21-14(11)18-15(19)16(20-2)7-9-17-10-8-16;/h17H,3-10H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119803415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).