3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide

C14H23N3O2S — CID 103419914

IUPAC3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCCC2)c(OC(C)C)c1N
InChIInChI=1S/C14H23N3O2S/c1-9(2)19-11-10(15)12(13(18)16-3)20-14(11)17-7-5-4-6-8-17/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyCMOWVGNIHRJHKZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.47
Rot. Bonds4

About 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103419914) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103419914
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCCC2)c(OC(C)C)c1N
InChIInChI=1S/C14H23N3O2S/c1-9(2)19-11-10(15)12(13(18)16-3)20-14(11)17-7-5-4-6-8-17/h9H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyCMOWVGNIHRJHKZ-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-propan-2-yloxythiophene-2-carboxamide
CID 103419553
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
methyl 3-amino-4-propan-2-yloxy-5-(1,4-thiazepan-4-yl)thiophene-2-carboxylate
CID 103418052
1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422514
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
1-[3-amino-5-(1,4-diazepan-1-yl)-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103524860
3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103526749
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 103506539
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide (CID 103419914) is 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide is CNC(=O)c1sc(N2CCCCC2)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is CMOWVGNIHRJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)19-11-10(15)12(13(18)16-3)20-14(11)17-7-5-4-6-8-17/h9H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103419914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).