[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C20H24N2O2S — CID 16668174

IUPAC[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCc1cccnc1C1(O)CCN(C(=O)c2csc3c2CCCC3)CC1
InChIInChI=1S/C20H24N2O2S/c1-14-5-4-10-21-18(14)20(24)8-11-22(12-9-20)19(23)16-13-25-17-7-3-2-6-15(16)17/h4-5,10,13,24H,2-3,6-9,11-12H2,1H3
InChIKeyBHOUAWSEMPTFNF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.45
Rot. Bonds2

About [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 16668174) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID16668174
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCc1cccnc1C1(O)CCN(C(=O)c2csc3c2CCCC3)CC1
InChIInChI=1S/C20H24N2O2S/c1-14-5-4-10-21-18(14)20(24)8-11-22(12-9-20)19(23)16-13-25-17-7-3-2-6-15(16)17/h4-5,10,13,24H,2-3,6-9,11-12H2,1H3
InChIKeyBHOUAWSEMPTFNF-UHFFFAOYSA-N
XLogP3.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 16668174) is [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is Cc1cccnc1C1(O)CCN(C(=O)c2csc3c2CCCC3)CC1.
What is the InChIKey of [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is BHOUAWSEMPTFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-5-4-10-21-18(14)20(24)8-11-22(12-9-20)19(23)16-13-25-17-7-3-2-6-15(16)17/h4-5,10,13,24H,2-3,6-9,11-12H2,1H3.
What are the key properties of [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 16668174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).