(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C16H23ClN2O2S — CID 53193440

IUPAC(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H23ClN2O2S/c17-15-5-4-14(22-15)16(20)19-7-2-1-3-13(19)6-8-18-9-11-21-12-10-18/h4-5,13H,1-3,6-12H2
InChIKeyOWZCVUHBDCSFRX-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.12
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 53193440) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID53193440
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H23ClN2O2S/c17-15-5-4-14(22-15)16(20)19-7-2-1-3-13(19)6-8-18-9-11-21-12-10-18/h4-5,13H,1-3,6-12H2
InChIKeyOWZCVUHBDCSFRX-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 53193440) is (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is OWZCVUHBDCSFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c17-15-5-4-14(22-15)16(20)19-7-2-1-3-13(19)6-8-18-9-11-21-12-10-18/h4-5,13H,1-3,6-12H2.
What are the key properties of (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 342.89 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53193440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).