N-piperidin-3-yl-1-benzothiophene-5-carboxamide

C14H16N2OS — CID 119426134

IUPACN-piperidin-3-yl-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c17-14(16-12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-18-13/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)
InChIKeyQEEFLZYUSUQZEQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.38
Rot. Bonds2

About N-piperidin-3-yl-1-benzothiophene-5-carboxamide

N-piperidin-3-yl-1-benzothiophene-5-carboxamide (PubChem CID 119426134) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-piperidin-3-yl-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-1-benzothiophene-5-carboxamide
PubChem CID119426134
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-piperidin-3-yl-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c17-14(16-12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-18-13/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)
InChIKeyQEEFLZYUSUQZEQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
N-piperidin-3-ylbenzamide
CID 22017045
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1-benzothiophene-5-carboxamide?
The IUPAC name of N-piperidin-3-yl-1-benzothiophene-5-carboxamide (CID 119426134) is N-piperidin-3-yl-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-piperidin-3-yl-1-benzothiophene-5-carboxamide is O=C(NC1CCCNC1)c1ccc2sccc2c1.
What is the InChIKey of N-piperidin-3-yl-1-benzothiophene-5-carboxamide?
The InChIKey is QEEFLZYUSUQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(16-12-2-1-6-15-9-12)11-3-4-13-10(8-11)5-7-18-13/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17).
What are the key properties of N-piperidin-3-yl-1-benzothiophene-5-carboxamide?
N-piperidin-3-yl-1-benzothiophene-5-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.38, 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-5-carboxamide is sourced from PubChem (CID 119426134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).