2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

C17H20ClN3OS — CID 30864095

IUPAC2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCc1nnc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H20ClN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyKBUCFCIGKHBGGD-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 30864095) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID30864095
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCc1nnc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C17H20ClN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyKBUCFCIGKHBGGD-UHFFFAOYSA-N
XLogP3.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (CID 30864095) is 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is CCc1nnc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is KBUCFCIGKHBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 349.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 30864095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).