5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide

C15H23ClN2OS — CID 137372821

IUPAC5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C1CCNCC1
InChIInChI=1S/C15H23ClN2OS/c1-10(2)9-12(11-5-7-17-8-6-11)18-15(19)13-3-4-14(16)20-13/h3-4,10-12,17H,5-9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyVJAZQIGQRZPHKN-GFCCVEGCSA-N
MW314.88 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide

5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide (PubChem CID 137372821) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
PubChem CID137372821
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C1CCNCC1
InChIInChI=1S/C15H23ClN2OS/c1-10(2)9-12(11-5-7-17-8-6-11)18-15(19)13-3-4-14(16)20-13/h3-4,10-12,17H,5-9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyVJAZQIGQRZPHKN-GFCCVEGCSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide (CID 137372821) is 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide is CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C1CCNCC1.
What is the InChIKey of 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide?
The InChIKey is VJAZQIGQRZPHKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-10(2)9-12(11-5-7-17-8-6-11)18-15(19)13-3-4-14(16)20-13/h3-4,10-12,17H,5-9H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide?
5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide has a molecular weight of 314.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-3-methyl-1-piperidin-4-ylbutyl]thiophene-2-carboxamide is sourced from PubChem (CID 137372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).