1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

C14H18N4OS — CID 56824865

IUPAC1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H18N4OS/c19-14(4-3-13-16-6-9-20-13)17-7-1-2-12(10-17)18-8-5-15-11-18/h5-6,8-9,11-12H,1-4,7,10H2
InChIKeyVXQPXESAZMSRMW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 56824865) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID56824865
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H18N4OS/c19-14(4-3-13-16-6-9-20-13)17-7-1-2-12(10-17)18-8-5-15-11-18/h5-6,8-9,11-12H,1-4,7,10H2
InChIKeyVXQPXESAZMSRMW-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 56824865) is 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCCC(n2ccnc2)C1.
What is the InChIKey of 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is VXQPXESAZMSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(4-3-13-16-6-9-20-13)17-7-1-2-12(10-17)18-8-5-15-11-18/h5-6,8-9,11-12H,1-4,7,10H2.
What are the key properties of 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 56824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).