2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide

C14H20Cl2N2OS — CID 68575109

IUPAC2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide
SMILESCC(C)CN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2OS/c1-9(2)8-18(10-3-5-17-6-4-10)14(19)11-7-12(15)20-13(11)16/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyUCJKLVHRMUWSTH-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.91
Rot. Bonds4

About 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide

2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide (PubChem CID 68575109) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide
PubChem CID68575109
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC Name2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide
SMILESCC(C)CN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2OS/c1-9(2)8-18(10-3-5-17-6-4-10)14(19)11-7-12(15)20-13(11)16/h7,9-10,17H,3-6,8H2,1-2H3
InChIKeyUCJKLVHRMUWSTH-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide (CID 68575109) is 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide is CC(C)CN(C(=O)c1cc(Cl)sc1Cl)C1CCNCC1.
What is the InChIKey of 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide?
The InChIKey is UCJKLVHRMUWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2OS/c1-9(2)8-18(10-3-5-17-6-4-10)14(19)11-7-12(15)20-13(11)16/h7,9-10,17H,3-6,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide?
2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide has a molecular weight of 335.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylpropyl)-N-piperidin-4-ylthiophene-3-carboxamide is sourced from PubChem (CID 68575109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).