2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone

C13H21N3O2S — CID 43747634

IUPAC2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2csc(C)n2)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)7-14-11-3-5-16(6-4-11)13(17)8-18-2/h9,11,14H,3-8H2,1-2H3
InChIKeyZZFKUSJMHXOXRM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.18
Rot. Bonds5

About 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43747634) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID43747634
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2csc(C)n2)CC1
InChIInChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)7-14-11-3-5-16(6-4-11)13(17)8-18-2/h9,11,14H,3-8H2,1-2H3
InChIKeyZZFKUSJMHXOXRM-UHFFFAOYSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 71921285
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone (CID 43747634) is 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2csc(C)n2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is ZZFKUSJMHXOXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-15-12(9-19-10)7-14-11-3-5-16(6-4-11)13(17)8-18-2/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 283.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43747634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).