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

C15H23N3O3S — CID 95097272

IUPACN-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOCC(=O)N1CCC[C@@H](c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O3S/c1-11(19)16-6-5-13-10-22-15(17-13)12-4-3-7-18(8-12)14(20)9-21-2/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyDVIUPPDUGRPFBQ-GFCCVEGCSA-N
MW325.43 g/mol
LogP1.17
Rot. Bonds6

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

N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 95097272) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID95097272
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCOCC(=O)N1CCC[C@@H](c2nc(CCNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O3S/c1-11(19)16-6-5-13-10-22-15(17-13)12-4-3-7-18(8-12)14(20)9-21-2/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyDVIUPPDUGRPFBQ-GFCCVEGCSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 71842063
N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841826
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
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
N-[2-[2-[1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71819838
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95768074
N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841963
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97101620

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 95097272) is N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is COCC(=O)N1CCC[C@@H](c2nc(CCNC(C)=O)cs2)C1.
What is the InChIKey of N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is DVIUPPDUGRPFBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(19)16-6-5-13-10-22-15(17-13)12-4-3-7-18(8-12)14(20)9-21-2/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 95097272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).