N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C18H20N2O2S — CID 1075485

IUPACN-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21)
InChIKeyFNVZNDYEFYMASV-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.55
Rot. Bonds3

About N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075485) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075485
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21)
InChIKeyFNVZNDYEFYMASV-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075485) is N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FNVZNDYEFYMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-4-6-15(7-5-13)19-17(21)14-8-10-20(11-9-14)18(22)16-3-2-12-23-16/h2-7,12,14H,8-11H2,1H3,(H,19,21).
What are the key properties of N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).