1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane

C19H32N2O2S — CID 159572048

IUPAC1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
SMILESC.CCCC(=O)N1CCCC(c2nc(CCC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H28N2O2S.CH4/c1-4-6-17(22)20-10-5-7-14(11-20)18-19-15(12-23-18)8-9-16(21)13(2)3;/h12-14H,4-11H2,1-3H3;1H4
InChIKeyMHYCJZBSYNWVJH-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.44
Rot. Bonds7

About 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane

1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane (PubChem CID 159572048) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane.

Molecular Properties

Compound Name1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
PubChem CID159572048
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
SMILESC.CCCC(=O)N1CCCC(c2nc(CCC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H28N2O2S.CH4/c1-4-6-17(22)20-10-5-7-14(11-20)18-19-15(12-23-18)8-9-16(21)13(2)3;/h12-14H,4-11H2,1-3H3;1H4
InChIKeyMHYCJZBSYNWVJH-UHFFFAOYSA-N
XLogP4.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[3-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one;methane
CID 159478001
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841804
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503625
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane?
The IUPAC name of 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane (CID 159572048) is 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane.
What is the SMILES notation for 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane?
The canonical SMILES for 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane is C.CCCC(=O)N1CCCC(c2nc(CCC(=O)C(C)C)cs2)C1.
What is the InChIKey of 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane?
The InChIKey is MHYCJZBSYNWVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.CH4/c1-4-6-17(22)20-10-5-7-14(11-20)18-19-15(12-23-18)8-9-16(21)13(2)3;/h12-14H,4-11H2,1-3H3;1H4.
What are the key properties of 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane?
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane has a molecular weight of 352.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane is sourced from PubChem (CID 159572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).