1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one

C14H22N2O2S — CID 103419843

IUPAC1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
SMILESCOc1c(N2CCCCC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C14H22N2O2S/c1-9(2)11(17)13-10(15)12(18-3)14(19-13)16-7-5-4-6-8-16/h9H,4-8,15H2,1-3H3
InChIKeyLZRIAHWEMJMMEN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one

1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one (PubChem CID 103419843) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
PubChem CID103419843
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
SMILESCOc1c(N2CCCCC2)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C14H22N2O2S/c1-9(2)11(17)13-10(15)12(18-3)14(19-13)16-7-5-4-6-8-16/h9H,4-8,15H2,1-3H3
InChIKeyLZRIAHWEMJMMEN-UHFFFAOYSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
CID 103505516
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
1-(3-amino-4-methylsulfonyl-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419876
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
CID 103420620
methyl 3-amino-4-propan-2-yloxy-5-(1,4-thiazepan-4-yl)thiophene-2-carboxylate
CID 103418052

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one (CID 103419843) is 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one is COc1c(N2CCCCC2)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is LZRIAHWEMJMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(2)11(17)13-10(15)12(18-3)14(19-13)16-7-5-4-6-8-16/h9H,4-8,15H2,1-3H3.
What are the key properties of 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one?
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 282.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 103419843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).