N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide

C18H21N3O2S — CID 119320001

IUPACN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H21N3O2S/c22-17(12-14-4-3-11-24-14)20-15-5-1-2-6-16(15)21-18(23)13-7-9-19-10-8-13/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23)
InChIKeyXUWOZBALXBDEPY-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide

N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 119320001) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
PubChem CID119320001
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide
SMILESO=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H21N3O2S/c22-17(12-14-4-3-11-24-14)20-15-5-1-2-6-16(15)21-18(23)13-7-9-19-10-8-13/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23)
InChIKeyXUWOZBALXBDEPY-UHFFFAOYSA-N
XLogP2.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]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

Related Compounds

N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 119777460
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
2-piperidin-4-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 61028561
N-(1-benzofuran-3-yl)piperidine-4-carboxamide
CID 115159983
N-(2-cyanophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide (CID 119320001) is N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide is O=C(Cc1cccs1)Nc1ccccc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is XUWOZBALXBDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(12-14-4-3-11-24-14)20-15-5-1-2-6-16(15)21-18(23)13-7-9-19-10-8-13/h1-6,11,13,19H,7-10,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide?
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119320001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).