piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C14H19NOS — CID 2072949

IUPACpiperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)12-10-17-13-7-3-2-6-11(12)13/h10H,1-9H2
InChIKeyXVYNBKCSKMXDGF-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.25
Rot. Bonds1

About piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 2072949) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID2072949
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Namepiperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1csc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)12-10-17-13-7-3-2-6-11(12)13/h10H,1-9H2
InChIKeyXVYNBKCSKMXDGF-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide;hydrochloride
CID 16194528
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
1-(4,5,6,7-Tetrahydro-2-benzothien-1-ylcarbonyl)piperidine
CID 596805
1-(1-Benzothien-3-ylcarbonyl)azepane
CID 1245639
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3241911
N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243403
N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3525907
3,4-dihydro-1H-isoquinolin-2-yl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4015631
Ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-amido)piperidine-1-carboxylate
CID 5308557
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9550700

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 2072949) is piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is O=C(c1csc2c1CCCC2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is XVYNBKCSKMXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(15-8-4-1-5-9-15)12-10-17-13-7-3-2-6-11(12)13/h10H,1-9H2.
What are the key properties of piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 249.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 2072949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).