N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide

C13H20N2OS — CID 50875369

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-15-8-5-11(6-9-15)4-7-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyHLMXMQDGNMHGMM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 50875369) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID50875369
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C13H20N2OS/c1-15-8-5-11(6-9-15)4-7-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyHLMXMQDGNMHGMM-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-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-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide (CID 50875369) is N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide is CN1CCC(CCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is HLMXMQDGNMHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15-8-5-11(6-9-15)4-7-14-13(16)12-3-2-10-17-12/h2-3,10-11H,4-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 50875369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).