1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C16H25N3O2S — CID 110114272

IUPAC1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCC1(c2nccs2)CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-16(15-17-5-13-22-15)3-7-19(8-4-16)14(20)2-6-18-9-11-21-12-10-18/h5,13H,2-4,6-12H2,1H3
InChIKeyZHNZUAKTTOCINP-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 110114272) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID110114272
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCC1(c2nccs2)CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-16(15-17-5-13-22-15)3-7-19(8-4-16)14(20)2-6-18-9-11-21-12-10-18/h5,13H,2-4,6-12H2,1H3
InChIKeyZHNZUAKTTOCINP-UHFFFAOYSA-N
XLogP1.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 110114272) is 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is CC1(c2nccs2)CCN(C(=O)CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is ZHNZUAKTTOCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-16(15-17-5-13-22-15)3-7-19(8-4-16)14(20)2-6-18-9-11-21-12-10-18/h5,13H,2-4,6-12H2,1H3.
What are the key properties of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 323.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110114272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).