N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C17H25N3O3S — CID 71841709

IUPACN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCOCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C17H25N3O3S/c1-23-10-15(21)20-8-2-3-13(9-20)17-19-14(11-24-17)6-7-18-16(22)12-4-5-12/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeySEZIWUPHVDGZOJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.56
Rot. Bonds7

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

N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841709) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841709
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCOCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1
InChIInChI=1S/C17H25N3O3S/c1-23-10-15(21)20-8-2-3-13(9-20)17-19-14(11-24-17)6-7-18-16(22)12-4-5-12/h11-13H,2-10H2,1H3,(H,18,22)
InChIKeySEZIWUPHVDGZOJ-UHFFFAOYSA-N
XLogP1.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
1-acetyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-3-piperidinecarboxamide
CID 72838132
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72873495
N-[2-[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 53149577
N-{2-[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]ethyl}-2-methylpropanamide
CID 53149603
N-(2-{2-[1-(2-Methylpropanoyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841700
N-{2-[2-(1-Butanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841701
N-{2-[2-(1-Propanoylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841702
N-(2-{2-[1-(3-Methylbutanoyl)piperidin-3-YL]-13-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841728
N-{2-[2-(1-Cyclohexanecarbonylpiperidin-3-YL)-1,3-thiazol-4-YL]ethyl}cyclopropanecarboxamide
CID 71841735
N-(2-{2-[1-(2,2-dimethylbutanoyl)-3-piperidyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 71841826

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841709) is N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is COCC(=O)N1CCCC(c2nc(CCNC(=O)C3CC3)cs2)C1.
What is the InChIKey of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is SEZIWUPHVDGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-23-10-15(21)20-8-2-3-13(9-20)17-19-14(11-24-17)6-7-18-16(22)12-4-5-12/h11-13H,2-10H2,1H3,(H,18,22).
What are the key properties of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).