N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

C20H22N4OS — CID 26394881

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(16-5-9-24(10-6-16)13-15-7-11-26-14-15)22-18-3-1-2-17(12-18)19-4-8-21-23-19/h1-4,7-8,11-12,14,16H,5-6,9-10,13H2,(H,21,23)(H,22,25)
InChIKeyZNASAWVYOMSOCT-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.99
Rot. Bonds5

About N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 26394881) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
PubChem CID26394881
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H22N4OS/c25-20(16-5-9-24(10-6-16)13-15-7-11-26-14-15)22-18-3-1-2-17(12-18)19-4-8-21-23-19/h1-4,7-8,11-12,14,16H,5-6,9-10,13H2,(H,21,23)(H,22,25)
InChIKeyZNASAWVYOMSOCT-UHFFFAOYSA-N
XLogP3.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (CID 26394881) is N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZNASAWVYOMSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(16-5-9-24(10-6-16)13-15-7-11-26-14-15)22-18-3-1-2-17(12-18)19-4-8-21-23-19/h1-4,7-8,11-12,14,16H,5-6,9-10,13H2,(H,21,23)(H,22,25).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 26394881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).