N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide

C23H24N2OS — CID 42853214

IUPACN-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2
InChIKeyUSJBKAJGBOUZJY-UHFFFAOYSA-N
MW376.52 g/mol
LogP5.06
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide (PubChem CID 42853214) has the molecular formula C23H24N2OS and a molecular weight of 376.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide
PubChem CID42853214
Molecular FormulaC23H24N2OS
Molecular Weight376.52 g/mol
Exact Mass376.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2
InChIKeyUSJBKAJGBOUZJY-UHFFFAOYSA-N
XLogP5.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide (CID 42853214) is N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide is O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide?
The InChIKey is USJBKAJGBOUZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 42853214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).