1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

C16H24N2O2S — CID 110114179

IUPAC1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC1(c2nccs2)CCN(C(=O)CC2CCOCC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(15-17-6-11-21-15)4-7-18(8-5-16)14(19)12-13-2-9-20-10-3-13/h6,11,13H,2-5,7-10,12H2,1H3
InChIKeyHAUQPUKYWNKTFR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 110114179) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID110114179
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC1(c2nccs2)CCN(C(=O)CC2CCOCC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(15-17-6-11-21-15)4-7-18(8-5-16)14(19)12-13-2-9-20-10-3-13/h6,11,13H,2-5,7-10,12H2,1H3
InChIKeyHAUQPUKYWNKTFR-UHFFFAOYSA-N
XLogP2.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97370622
1-[4-Methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114272
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
(2S)-2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 164635377
2,2-Dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683908
3-(Oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 170757882
1-[4-(2-Morpholin-4-ylethyl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 49095093
3-Methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 71692449
3-Methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71692450
1-(3,3-Dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 71934166
1-[4-(2-Methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 71937726

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 110114179) is 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is CC1(c2nccs2)CCN(C(=O)CC2CCOCC2)CC1.
What is the InChIKey of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is HAUQPUKYWNKTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(15-17-6-11-21-15)4-7-18(8-5-16)14(19)12-13-2-9-20-10-3-13/h6,11,13H,2-5,7-10,12H2,1H3.
What are the key properties of 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 308.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 110114179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).