1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

C17H20N2O2S — CID 78804876

IUPAC1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H20N2O2S/c1-18(2)16(20)12-7-9-19(10-8-12)17(21)15-11-13-5-3-4-6-14(13)22-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBGKJDZJPDVSFEZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.84
Rot. Bonds2

About 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 78804876) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID78804876
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H20N2O2S/c1-18(2)16(20)12-7-9-19(10-8-12)17(21)15-11-13-5-3-4-6-14(13)22-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBGKJDZJPDVSFEZ-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
3-(1-benzothiophene-2-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71879816
1-benzothiophen-2-yl-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884152
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-benzothiophen-2-yl)methanone
CID 97369382
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847
1-(1-benzothiophene-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741898
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 78804876) is 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BGKJDZJPDVSFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18(2)16(20)12-7-9-19(10-8-12)17(21)15-11-13-5-3-4-6-14(13)22-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 78804876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).