[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone

C13H19NO3S — CID 103720299

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C13H19NO3S/c1-9(15)10-3-5-14(6-4-10)13(16)12-7-11(17-2)8-18-12/h7-10,15H,3-6H2,1-2H3
InChIKeyCJGAEACFCOEGQF-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.99
Rot. Bonds3

About [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone (PubChem CID 103720299) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
PubChem CID103720299
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C13H19NO3S/c1-9(15)10-3-5-14(6-4-10)13(16)12-7-11(17-2)8-18-12/h7-10,15H,3-6H2,1-2H3
InChIKeyCJGAEACFCOEGQF-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 81127210
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107034180
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
2-[4-(4-methoxythiophene-2-carbonyl)piperazin-1-yl]-3-methylbutanenitrile
CID 71865601
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304268
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
2-[4-(4-methoxythiophene-2-carbonyl)piperazin-1-yl]butanethioamide
CID 81121719
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone (CID 103720299) is [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)N2CCC(C(C)O)CC2)c1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The InChIKey is CJGAEACFCOEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(15)10-3-5-14(6-4-10)13(16)12-7-11(17-2)8-18-12/h7-10,15H,3-6H2,1-2H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 1.99, 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]-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 103720299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).