N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide

C17H27N3O2S — CID 71931180

IUPACN-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-12(21)18-8-5-15(22)20-9-6-13(7-10-20)16-19-14(11-23-16)17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,21)
InChIKeyBQKKVUCUMNSZFO-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.67
Rot. Bonds4

About N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 71931180) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID71931180
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-12(21)18-8-5-15(22)20-9-6-13(7-10-20)16-19-14(11-23-16)17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,21)
InChIKeyBQKKVUCUMNSZFO-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841963
2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209887
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
CID 138994808
N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3858032
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
methyl 4-[4-(4-formyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 142983150
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide (CID 71931180) is N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is BQKKVUCUMNSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12(21)18-8-5-15(22)20-9-6-13(7-10-20)16-19-14(11-23-16)17(2,3)4/h11,13H,5-10H2,1-4H3,(H,18,21).
What are the key properties of N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 71931180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).