N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C18H29N3O2S — CID 71841804

IUPACN-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)CC(C)C)C2)n1
InChIInChI=1S/C18H29N3O2S/c1-4-16(22)19-8-7-15-12-24-18(20-15)14-6-5-9-21(11-14)17(23)10-13(2)3/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyDANOLTSUAMEHDX-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.96
Rot. Bonds7

About N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841804) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841804
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)CC(C)C)C2)n1
InChIInChI=1S/C18H29N3O2S/c1-4-16(22)19-8-7-15-12-24-18(20-15)14-6-5-9-21(11-14)17(23)10-13(2)3/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyDANOLTSUAMEHDX-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71819838
N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841776
N-[2-[2-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841781
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-cyclopentyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841862
N-tert-butyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841869
N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841826
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841752
2-methyl-N-[2-[2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097328
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841804) is N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)CC(C)C)C2)n1.
What is the InChIKey of N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is DANOLTSUAMEHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-16(22)19-8-7-15-12-24-18(20-15)14-6-5-9-21(11-14)17(23)10-13(2)3/h12-14H,4-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 351.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).