3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide

C14H24N4O2S — CID 103525562

IUPAC3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC2CCNCC2)c(OC(C)C)c1N
InChIInChI=1S/C14H24N4O2S/c1-8(2)20-11-10(15)12(13(19)16-3)21-14(11)18-9-4-6-17-7-5-9/h8-9,17-18H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyCPMJACMTKNRWNG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103525562) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103525562
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(NC2CCNCC2)c(OC(C)C)c1N
InChIInChI=1S/C14H24N4O2S/c1-8(2)20-11-10(15)12(13(19)16-3)21-14(11)18-9-4-6-17-7-5-9/h8-9,17-18H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyCPMJACMTKNRWNG-UHFFFAOYSA-N
XLogP1.64
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide (CID 103525562) is 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide is CNC(=O)c1sc(NC2CCNCC2)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is CPMJACMTKNRWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-8(2)20-11-10(15)12(13(19)16-3)21-14(11)18-9-4-6-17-7-5-9/h8-9,17-18H,4-7,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103525562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).