4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide

C19H24N2OS — CID 20940443

IUPAC4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1
InChIInChI=1S/C19H24N2OS/c1-2-11-20-18(22)17-14-16(15-9-5-3-6-10-15)19(23-17)21-12-7-4-8-13-21/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,20,22)
InChIKeyHKKCFMGETKOWLU-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.55
Rot. Bonds5

About 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide

4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide (PubChem CID 20940443) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide
PubChem CID20940443
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1
InChIInChI=1S/C19H24N2OS/c1-2-11-20-18(22)17-14-16(15-9-5-3-6-10-15)19(23-17)21-12-7-4-8-13-21/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,20,22)
InChIKeyHKKCFMGETKOWLU-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide?
The IUPAC name of 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide (CID 20940443) is 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1.
What is the InChIKey of 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide?
The InChIKey is HKKCFMGETKOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-11-20-18(22)17-14-16(15-9-5-3-6-10-15)19(23-17)21-12-7-4-8-13-21/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,20,22).
What are the key properties of 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide?
4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-piperidin-1-yl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 20940443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).