N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide

C24H28N3OS+ — CID 6985096

IUPACN-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C
InChIInChI=1S/C24H27N3OS/c1-17-18(2)29-24(26-23(28)19-10-5-3-6-11-19)21(17)22(20-12-9-13-25-16-20)27-14-7-4-8-15-27/h3,5-6,9-13,16,22H,4,7-8,14-15H2,1-2H3,(H,26,28)/p+1/t22-/m1/s1
InChIKeyBMEILHJASUCBME-JOCHJYFZSA-O
MW406.58 g/mol
LogP4.17
Rot. Bonds5

About N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide

N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide (PubChem CID 6985096) has the molecular formula C24H28N3OS+ and a molecular weight of 406.58 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide
PubChem CID6985096
Molecular FormulaC24H28N3OS+
Molecular Weight406.58 g/mol
Exact Mass406.19
IUPAC NameN-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C
InChIInChI=1S/C24H27N3OS/c1-17-18(2)29-24(26-23(28)19-10-5-3-6-11-19)21(17)22(20-12-9-13-25-16-20)27-14-7-4-8-15-27/h3,5-6,9-13,16,22H,4,7-8,14-15H2,1-2H3,(H,26,28)/p+1/t22-/m1/s1
InChIKeyBMEILHJASUCBME-JOCHJYFZSA-O
XLogP4.17
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide 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-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide
CID 6985100
N-[3-[(3-chlorophenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4989171
N-[4,5-dimethyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]benzamide
CID 6972750
N-[4,5-dimethyl-3-[(R)-[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]thiophen-2-yl]benzamide
CID 93064774
N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 4102618
N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]thiophen-2-yl]benzamide
CID 7784099
N-[4,5-dimethyl-3-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479786
N-[3-[(2-chlorophenyl)-piperidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 5236795
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide
CID 4128134
N-[4,5-dimethyl-3-[phenyl-(1,3-thiazol-2-ylamino)methyl]thiophen-2-yl]benzamide
CID 4702229
N-[3-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672995

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide (CID 6985096) is N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide?
The InChIKey is BMEILHJASUCBME-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H27N3OS/c1-17-18(2)29-24(26-23(28)19-10-5-3-6-11-19)21(17)22(20-12-9-13-25-16-20)27-14-7-4-8-15-27/h3,5-6,9-13,16,22H,4,7-8,14-15H2,1-2H3,(H,26,28)/p+1/t22-/m1/s1.
What are the key properties of N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide?
N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide has a molecular weight of 406.58 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(R)-piperidin-1-ium-1-yl(pyridin-3-yl)methyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 6985096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).