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

C20H26N2OS — CID 110628848

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc(C2CCN(C(=O)CC(C)c3ccccc3)CC2)sc1C
InChIInChI=1S/C20H26N2OS/c1-14(17-7-5-4-6-8-17)13-19(23)22-11-9-18(10-12-22)20-21-15(2)16(3)24-20/h4-8,14,18H,9-13H2,1-3H3
InChIKeyGQIXCGWIEMOESP-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.66
Rot. Bonds4

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

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 110628848) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID110628848
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc(C2CCN(C(=O)CC(C)c3ccccc3)CC2)sc1C
InChIInChI=1S/C20H26N2OS/c1-14(17-7-5-4-6-8-17)13-19(23)22-11-9-18(10-12-22)20-21-15(2)16(3)24-20/h4-8,14,18H,9-13H2,1-3H3
InChIKeyGQIXCGWIEMOESP-UHFFFAOYSA-N
XLogP4.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 110289906
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 110308243
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313558
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one (CID 110628848) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc(C2CCN(C(=O)CC(C)c3ccccc3)CC2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is GQIXCGWIEMOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14(17-7-5-4-6-8-17)13-19(23)22-11-9-18(10-12-22)20-21-15(2)16(3)24-20/h4-8,14,18H,9-13H2,1-3H3.
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 342.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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-phenylbutan-1-one is sourced from PubChem (CID 110628848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).