N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

C20H24N2O2S — CID 45228883

IUPACN-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(CNC(=O)c3cccs3)C2)c1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-7-2-5-16(11-18)13-22-9-3-6-17(14-22)12-21-20(24)19-8-4-10-25-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,21,24)
InChIKeyBZLRXSWZPHBYCA-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.59
Rot. Bonds6

About N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 45228883) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID45228883
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(CNC(=O)c3cccs3)C2)c1
InChIInChI=1S/C20H24N2O2S/c1-15(23)18-7-2-5-16(11-18)13-22-9-3-6-17(14-22)12-21-20(24)19-8-4-10-25-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,21,24)
InChIKeyBZLRXSWZPHBYCA-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42095101
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42461029
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]methyl]benzoic acid
CID 122030782
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
CID 45214467
N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42355837
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 45228883) is N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is CC(=O)c1cccc(CN2CCCC(CNC(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is BZLRXSWZPHBYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15(23)18-7-2-5-16(11-18)13-22-9-3-6-17(14-22)12-21-20(24)19-8-4-10-25-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,21,24).
What are the key properties of N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45228883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).