N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

C20H22N4OS — CID 24794201

IUPACN-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(17-6-11-23(12-7-17)14-16-8-13-26-15-16)22-18-2-4-19(5-3-18)24-10-1-9-21-24/h1-5,8-10,13,15,17H,6-7,11-12,14H2,(H,22,25)
InChIKeyRTGARYXYPUWXLY-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.78
Rot. Bonds5

About N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 24794201) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
PubChem CID24794201
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(17-6-11-23(12-7-17)14-16-8-13-26-15-16)22-18-2-4-19(5-3-18)24-10-1-9-21-24/h1-5,8-10,13,15,17H,6-7,11-12,14H2,(H,22,25)
InChIKeyRTGARYXYPUWXLY-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (CID 24794201) is N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RTGARYXYPUWXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(17-6-11-23(12-7-17)14-16-8-13-26-15-16)22-18-2-4-19(5-3-18)24-10-1-9-21-24/h1-5,8-10,13,15,17H,6-7,11-12,14H2,(H,22,25).
What are the key properties of N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24794201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).