N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide

C23H33N3OS — CID 20940440

IUPACN-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1
InChIInChI=1S/C23H33N3OS/c1-3-25(4-2)15-11-14-24-22(27)21-18-20(19-12-7-5-8-13-19)23(28-21)26-16-9-6-10-17-26/h5,7-8,12-13,18H,3-4,6,9-11,14-17H2,1-2H3,(H,24,27)
InChIKeyDLLSGBLSMPVTAR-UHFFFAOYSA-N
MW399.60 g/mol
LogP4.87
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide

N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 20940440) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
PubChem CID20940440
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC NameN-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1
InChIInChI=1S/C23H33N3OS/c1-3-25(4-2)15-11-14-24-22(27)21-18-20(19-12-7-5-8-13-19)23(28-21)26-16-9-6-10-17-26/h5,7-8,12-13,18H,3-4,6,9-11,14-17H2,1-2H3,(H,24,27)
InChIKeyDLLSGBLSMPVTAR-UHFFFAOYSA-N
XLogP4.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide (CID 20940440) is N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide is CCN(CC)CCCNC(=O)c1cc(-c2ccccc2)c(N2CCCCC2)s1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is DLLSGBLSMPVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-3-25(4-2)15-11-14-24-22(27)21-18-20(19-12-7-5-8-13-19)23(28-21)26-16-9-6-10-17-26/h5,7-8,12-13,18H,3-4,6,9-11,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide?
N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-phenyl-5-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 20940440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).