N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide

C18H29N3O2S — CID 71841826

IUPACN-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCC(C)(C)C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-5-18(3,4)17(23)21-10-6-7-14(11-21)16-20-15(12-24-16)8-9-19-13(2)22/h12,14H,5-11H2,1-4H3,(H,19,22)
InChIKeyFNUBRQKLBXQPIQ-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 71841826) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID71841826
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCC(C)(C)C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-5-18(3,4)17(23)21-10-6-7-14(11-21)16-20-15(12-24-16)8-9-19-13(2)22/h12,14H,5-11H2,1-4H3,(H,19,22)
InChIKeyFNUBRQKLBXQPIQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
N-[2-[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841804
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
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
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97101620
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
CID 122023263
2-methyl-N-[2-[2-[(3S)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 95097313

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 71841826) is N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is CCC(C)(C)C(=O)N1CCCC(c2nc(CCNC(C)=O)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is FNUBRQKLBXQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-5-18(3,4)17(23)21-10-6-7-14(11-21)16-20-15(12-24-16)8-9-19-13(2)22/h12,14H,5-11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 351.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 71841826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).