1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one

C19H31N3OS — CID 119873585

IUPAC1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCCc1csc(C2CCCN(C(=O)CC(C)C3CCCNC3)C2)n1
InChIInChI=1S/C19H31N3OS/c1-3-17-13-24-19(21-17)16-7-5-9-22(12-16)18(23)10-14(2)15-6-4-8-20-11-15/h13-16,20H,3-12H2,1-2H3
InChIKeyPXXNAFIHXNKVBG-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.44
Rot. Bonds5

About 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119873585) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119873585
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCCc1csc(C2CCCN(C(=O)CC(C)C3CCCNC3)C2)n1
InChIInChI=1S/C19H31N3OS/c1-3-17-13-24-19(21-17)16-7-5-9-22(12-16)18(23)10-14(2)15-6-4-8-20-11-15/h13-16,20H,3-12H2,1-2H3
InChIKeyPXXNAFIHXNKVBG-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873612
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propanoic acid
CID 119135138
3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 119873585) is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one is CCc1csc(C2CCCN(C(=O)CC(C)C3CCCNC3)C2)n1.
What is the InChIKey of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is PXXNAFIHXNKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-3-17-13-24-19(21-17)16-7-5-9-22(12-16)18(23)10-14(2)15-6-4-8-20-11-15/h13-16,20H,3-12H2,1-2H3.
What are the key properties of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 349.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119873585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).