N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide

C16H28N4O2S — CID 91910030

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2scnc2C)C[C@H]1N(C)C
InChIInChI=1S/C16H28N4O2S/c1-12-15(23-11-18-12)9-20-6-5-13(14(8-20)19(2)3)7-17-16(21)10-22-4/h11,13-14H,5-10H2,1-4H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyATDRQWLJASXEAG-ZIAGYGMSSA-N
MW340.49 g/mol
LogP0.97
Rot. Bonds7

About N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide

N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (PubChem CID 91910030) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
PubChem CID91910030
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2scnc2C)C[C@H]1N(C)C
InChIInChI=1S/C16H28N4O2S/c1-12-15(23-11-18-12)9-20-6-5-13(14(8-20)19(2)3)7-17-16(21)10-22-4/h11,13-14H,5-10H2,1-4H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyATDRQWLJASXEAG-ZIAGYGMSSA-N
XLogP0.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide (CID 91910030) is N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1CCN(Cc2scnc2C)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is ATDRQWLJASXEAG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-12-15(23-11-18-12)9-20-6-5-13(14(8-20)19(2)3)7-17-16(21)10-22-4/h11,13-14H,5-10H2,1-4H3,(H,17,21)/t13-,14-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 340.49 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 91910030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).