[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone

C16H24N2O2S — CID 53193439

IUPAC[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2
InChIKeyZWKXAUYELJDIDH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.47
Rot. Bonds4

About [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53193439) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53193439
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2
InChIKeyZWKXAUYELJDIDH-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 53193439) is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZWKXAUYELJDIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2.
What are the key properties of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 308.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53193439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).