[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone

C18H22N2O2S — CID 111434240

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
SMILESCc1nc(-c2cccs2)ccc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C18H22N2O2S/c1-12-15(5-6-16(19-12)17-4-3-11-23-17)18(22)20-9-7-14(8-10-20)13(2)21/h3-6,11,13-14,21H,7-10H2,1-2H3
InChIKeyPHQOQCKMNANITH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.35
Rot. Bonds3

About [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone (PubChem CID 111434240) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
PubChem CID111434240
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone
SMILESCc1nc(-c2cccs2)ccc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C18H22N2O2S/c1-12-15(5-6-16(19-12)17-4-3-11-23-17)18(22)20-9-7-14(8-10-20)13(2)21/h3-6,11,13-14,21H,7-10H2,1-2H3
InChIKeyPHQOQCKMNANITH-UHFFFAOYSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone (CID 111434240) is [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone is Cc1nc(-c2cccs2)ccc1C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone?
The InChIKey is PHQOQCKMNANITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-15(5-6-16(19-12)17-4-3-11-23-17)18(22)20-9-7-14(8-10-20)13(2)21/h3-6,11,13-14,21H,7-10H2,1-2H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone has a molecular weight of 330.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-thiophen-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 111434240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).