N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride

C14H17ClN2OS — CID 119426966

IUPACN-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1csc2ccccc12
InChIInChI=1S/C14H16N2OS.ClH/c17-14(16-10-4-3-7-15-8-10)12-9-18-13-6-2-1-5-11(12)13;/h1-2,5-6,9-10,15H,3-4,7-8H2,(H,16,17);1H
InChIKeyDWQKDUDETVWVAA-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.80
Rot. Bonds2

About N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride

N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 119426966) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID119426966
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1csc2ccccc12
InChIInChI=1S/C14H16N2OS.ClH/c17-14(16-10-4-3-7-15-8-10)12-9-18-13-6-2-1-5-11(12)13;/h1-2,5-6,9-10,15H,3-4,7-8H2,(H,16,17);1H
InChIKeyDWQKDUDETVWVAA-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
N-piperidin-3-ylbenzamide
CID 22017045
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride (CID 119426966) is N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1csc2ccccc12.
What is the InChIKey of N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is DWQKDUDETVWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c17-14(16-10-4-3-7-15-8-10)12-9-18-13-6-2-1-5-11(12)13;/h1-2,5-6,9-10,15H,3-4,7-8H2,(H,16,17);1H.
What are the key properties of N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride?
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119426966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).