4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

C14H20ClN3O2S — CID 119103250

IUPAC4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-17(2)14(20)18-7-5-10(6-8-18)9-16-13(19)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19)
InChIKeyRQTVEFHXMRVMBB-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.52
Rot. Bonds3

About 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 119103250) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID119103250
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H20ClN3O2S/c1-17(2)14(20)18-7-5-10(6-8-18)9-16-13(19)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19)
InChIKeyRQTVEFHXMRVMBB-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-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

5-Chloro-Thiophene-2-Carboxylic Acid [2-(1--Isopropyl-Piperidin-4-Ylsulfamoyl)-Ethyl]-Amide
CID 11990478
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2712625
5-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-2-thiophenecarboxamide
CID 845133
5-chloro-N-[2-[(1-propan-2-ylpiperidin-1-ium-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
CID 72200777
4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 51084665
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 51084817
4-(acetamidomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 51085085
1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 52910545
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
6-{1-[(5-chloro-2-thienyl)carbonyl]piperidin-4-yl}-2-methylpyrimidin-4(3H)-one
CID 135890761

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 119103250) is 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RQTVEFHXMRVMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-17(2)14(20)18-7-5-10(6-8-18)9-16-13(19)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19).
What are the key properties of 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 329.85 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 119103250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).