N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide

C21H22N2O2S — CID 51315508

IUPACN-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2Cc3ccccc3S2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c24-20(15-6-2-1-3-7-15)22-17-10-12-23(13-11-17)21(25)19-14-16-8-4-5-9-18(16)26-19/h1-9,17,19H,10-14H2,(H,22,24)
InChIKeyPGDIGRJJXMCBIS-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide

N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 51315508) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID51315508
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2Cc3ccccc3S2)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c24-20(15-6-2-1-3-7-15)22-17-10-12-23(13-11-17)21(25)19-14-16-8-4-5-9-18(16)26-19/h1-9,17,19H,10-14H2,(H,22,24)
InChIKeyPGDIGRJJXMCBIS-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562129
2,3-dihydro-1-benzothiophen-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550731
N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide
CID 51309523
ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
CID 51314246
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide (CID 51315508) is N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2Cc3ccccc3S2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is PGDIGRJJXMCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(15-6-2-1-3-7-15)22-17-10-12-23(13-11-17)21(25)19-14-16-8-4-5-9-18(16)26-19/h1-9,17,19H,10-14H2,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide?
N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 51315508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).