N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide

C25H28N2OS — CID 149434510

IUPACN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide
SMILESCC(c1ccccc1)C(C1CCCNC1)N(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C25H28N2OS/c1-19(20-10-4-2-5-11-20)24(21-12-8-16-26-18-21)27(22-13-6-3-7-14-22)25(28)23-15-9-17-29-23/h2-7,9-11,13-15,17,19,21,24,26H,8,12,16,18H2,1H3
InChIKeyIVKJHGCONDSRCO-UHFFFAOYSA-N
MW404.58 g/mol
LogP5.57
Rot. Bonds6

About N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide

N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide (PubChem CID 149434510) has the molecular formula C25H28N2OS and a molecular weight of 404.58 g/mol. Its IUPAC name is N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide
PubChem CID149434510
Molecular FormulaC25H28N2OS
Molecular Weight404.58 g/mol
Exact Mass404.19
IUPAC NameN-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide
SMILESCC(c1ccccc1)C(C1CCCNC1)N(C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C25H28N2OS/c1-19(20-10-4-2-5-11-20)24(21-12-8-16-26-18-21)27(22-13-6-3-7-14-22)25(28)23-15-9-17-29-23/h2-7,9-11,13-15,17,19,21,24,26H,8,12,16,18H2,1H3
InChIKeyIVKJHGCONDSRCO-UHFFFAOYSA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide (CID 149434510) is N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide is CC(c1ccccc1)C(C1CCCNC1)N(C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide?
The InChIKey is IVKJHGCONDSRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OS/c1-19(20-10-4-2-5-11-20)24(21-12-8-16-26-18-21)27(22-13-6-3-7-14-22)25(28)23-15-9-17-29-23/h2-7,9-11,13-15,17,19,21,24,26H,8,12,16,18H2,1H3.
What are the key properties of N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide?
N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide has a molecular weight of 404.58 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenyl-1-piperidin-3-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 149434510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).