5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

C20H25N2O2S+ — CID 9069255

IUPAC5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)s1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-7-3-4-8-17(16)14-22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,24)/p+1
InChIKeyDGDLDUXDTWYIPD-UHFFFAOYSA-O
MW357.50 g/mol
LogP2.45
Rot. Bonds6

About 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 9069255) has the molecular formula C20H25N2O2S+ and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID9069255
Molecular FormulaC20H25N2O2S+
Molecular Weight357.50 g/mol
Exact Mass357.16
IUPAC Name5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)s1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-7-3-4-8-17(16)14-22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,24)/p+1
InChIKeyDGDLDUXDTWYIPD-UHFFFAOYSA-O
XLogP2.45
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]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

Related Compounds

5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810728
4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8969424
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9142487
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9069102
5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8968923
5-acetyl-N-[[1-(dimethylamino)cycloheptyl]methyl]thiophene-2-carboxamide
CID 18165170
3-methyl-4-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8968886
2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810686
2-chloro-N-[(2S)-1-oxo-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 8969379

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 9069255) is 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)s1.
What is the InChIKey of 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is DGDLDUXDTWYIPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-7-3-4-8-17(16)14-22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,21,24)/p+1.
What are the key properties of 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 9069255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).