1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one

C19H24N2O2S — CID 110289906

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCc1nc(C2CCN(C(=O)CCOc3ccccc3)CC2)sc1C
InChIInChI=1S/C19H24N2O2S/c1-14-15(2)24-19(20-14)16-8-11-21(12-9-16)18(22)10-13-23-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3
InChIKeyXYOGRXPZWHXHDX-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.94
Rot. Bonds5

About 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110289906) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID110289906
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESCc1nc(C2CCN(C(=O)CCOc3ccccc3)CC2)sc1C
InChIInChI=1S/C19H24N2O2S/c1-14-15(2)24-19(20-14)16-8-11-21(12-9-16)18(22)10-13-23-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3
InChIKeyXYOGRXPZWHXHDX-UHFFFAOYSA-N
XLogP3.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110628848
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 110308243
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 9232648

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 110289906) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one is Cc1nc(C2CCN(C(=O)CCOc3ccccc3)CC2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is XYOGRXPZWHXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-15(2)24-19(20-14)16-8-11-21(12-9-16)18(22)10-13-23-17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110289906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).