5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

C20H24N2O2S — CID 8546646

IUPAC5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)s1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-5-7-17(8-6-16)14-22-11-3-2-4-12-22/h5-10H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyTYDCALGIIWUQPG-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.87
Rot. Bonds6

About 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 8546646) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID8546646
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)s1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-5-7-17(8-6-16)14-22-11-3-2-4-12-22/h5-10H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyTYDCALGIIWUQPG-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
methyl 5-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 47057132
4-acetyl-3,5-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 17402412
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 51313394
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
methyl 5-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 55708682
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide (CID 8546646) is 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)s1.
What is the InChIKey of 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is TYDCALGIIWUQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-5-7-17(8-6-16)14-22-11-3-2-4-12-22/h5-10H,2-4,11-14H2,1H3,(H,21,24).
What are the key properties of 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 8546646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).