(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C16H20ClN3OS — CID 72874443

IUPAC(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H20ClN3OS/c1-11(2)20-10-7-18-15(20)12-5-8-19(9-6-12)16(21)13-3-4-14(17)22-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyAROYSDLLDCEMDJ-UHFFFAOYSA-N
MW337.88 g/mol
LogP4.20
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72874443) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72874443
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H20ClN3OS/c1-11(2)20-10-7-18-15(20)12-5-8-19(9-6-12)16(21)13-3-4-14(17)22-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyAROYSDLLDCEMDJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 54.20
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)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 72874443) is (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AROYSDLLDCEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-11(2)20-10-7-18-15(20)12-5-8-19(9-6-12)16(21)13-3-4-14(17)22-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 337.88 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72874443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).