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

C16H25N3O3S — CID 71841779

IUPACN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)COC)C2)n1
InChIInChI=1S/C16H25N3O3S/c1-3-14(20)17-7-6-13-11-23-16(18-13)12-5-4-8-19(9-12)15(21)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyIRUVFERBDQHHHU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.56
Rot. Bonds7

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

N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841779) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841779
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)COC)C2)n1
InChIInChI=1S/C16H25N3O3S/c1-3-14(20)17-7-6-13-11-23-16(18-13)12-5-4-8-19(9-12)15(21)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyIRUVFERBDQHHHU-UHFFFAOYSA-N
XLogP1.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
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
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
3-[[1-(4-Methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one
CID 71983366
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-(cyclohexylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 53149558
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841779) is N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)COC)C2)n1.
What is the InChIKey of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is IRUVFERBDQHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-14(20)17-7-6-13-11-23-16(18-13)12-5-4-8-19(9-12)15(21)10-22-2/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 339.46 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]propanamide is sourced from PubChem (CID 71841779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).