3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

C14H16N2O2S — CID 66757441

IUPAC3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C14H16N2O2S/c15-14(17)13-12(18-9-5-7-16-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,16H,5-8H2,(H2,15,17)
InChIKeyABBDNODBWBEKCA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.13
Rot. Bonds3

About 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide

3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (PubChem CID 66757441) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
PubChem CID66757441
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C14H16N2O2S/c15-14(17)13-12(18-9-5-7-16-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,16H,5-8H2,(H2,15,17)
InChIKeyABBDNODBWBEKCA-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxybenzyl 3-(Piperidin-4-Yloxy)-1-Benzothiophene-2-Carboxylate
CID 70678410
3-Isopropoxy-5-methoxybenzo(b)thiophene-2-carboxamide
CID 128677
9-methoxy-3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]oxazepin-5-one
CID 512548
3-Phenylpropyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586086
2-(3-Methoxyphenyl)ethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586087
Phenethyl 3-(4-piperidyloxy)benzothiophene-2-carboxylate
CID 71586089
2-Phenoxyethyl 3-piperidin-4-yloxy-1-benzothiophene-2-carboxylate
CID 71586185
2-Benzyl-5-[3-(4-piperidyloxy)benzothiophen-2-yl]-1,3,4-oxadiazole
CID 89626482
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[(4-methoxyphenyl)methoxy]-1-benzothiophen-2-yl]methanone
CID 137634426
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-1-benzothiophen-2-yl)methanone
CID 137652255
[3-[(3,4-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 137658273
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-phenylmethoxy-1-benzothiophen-2-yl)methanone
CID 137661487

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide (CID 66757441) is 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1OC1CCNCC1.
What is the InChIKey of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
The InChIKey is ABBDNODBWBEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-14(17)13-12(18-9-5-7-16-8-6-9)10-3-1-2-4-11(10)19-13/h1-4,9,16H,5-8H2,(H2,15,17).
What are the key properties of 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide?
3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66757441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).