1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C16H22N4OS — CID 56779756

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CCc2nccs2)C1
InChIInChI=1S/C16H22N4OS/c1-2-14-17-7-10-20(14)13-4-3-9-19(12-13)16(21)6-5-15-18-8-11-22-15/h7-8,10-11,13H,2-6,9,12H2,1H3
InChIKeyWFAQGHYPFZVMBR-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 56779756) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID56779756
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CCc2nccs2)C1
InChIInChI=1S/C16H22N4OS/c1-2-14-17-7-10-20(14)13-4-3-9-19(12-13)16(21)6-5-15-18-8-11-22-15/h7-8,10-11,13H,2-6,9,12H2,1H3
InChIKeyWFAQGHYPFZVMBR-UHFFFAOYSA-N
XLogP2.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 56779756) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is CCc1nccn1C1CCCN(C(=O)CCc2nccs2)C1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WFAQGHYPFZVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-14-17-7-10-20(14)13-4-3-9-19(12-13)16(21)6-5-15-18-8-11-22-15/h7-8,10-11,13H,2-6,9,12H2,1H3.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 318.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 56779756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).