[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

C13H19NO3S — CID 91660020

IUPAC[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCCCC1C(C)O
InChIInChI=1S/C13H19NO3S/c1-9(15)10-5-3-4-7-14(10)13(16)12-11(17-2)6-8-18-12/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeySZVQNOLAHZYIBF-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.13
Rot. Bonds3

About [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (PubChem CID 91660020) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
PubChem CID91660020
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCCCC1C(C)O
InChIInChI=1S/C13H19NO3S/c1-9(15)10-5-3-4-7-14(10)13(16)12-11(17-2)6-8-18-12/h6,8-10,15H,3-5,7H2,1-2H3
InChIKeySZVQNOLAHZYIBF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
[2-(1-aminoethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 119434857
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 81122408
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 129430320
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122591
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (CID 91660020) is [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)N1CCCCC1C(C)O.
What is the InChIKey of [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The InChIKey is SZVQNOLAHZYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(15)10-5-3-4-7-14(10)13(16)12-11(17-2)6-8-18-12/h6,8-10,15H,3-5,7H2,1-2H3.
What are the key properties of [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
[2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 91660020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).