N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C20H24N2O2S — CID 24540042

IUPACN-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O2S/c1-15-9-11-22(12-10-15)20(24)17(14-16-6-3-2-4-7-16)21-19(23)18-8-5-13-25-18/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyQOYIQAIFLCXMFD-KRWDZBQOSA-N
MW356.49 g/mol
LogP3.35
Rot. Bonds5

About N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 24540042) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID24540042
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H24N2O2S/c1-15-9-11-22(12-10-15)20(24)17(14-16-6-3-2-4-7-16)21-19(23)18-8-5-13-25-18/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyQOYIQAIFLCXMFD-KRWDZBQOSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166031
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167123
N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112763178
3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 3951610
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[(2S)-1-oxo-3-phenyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 24546080
N-[(2R)-1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31118974
benzyl (2S)-2-[(4-methylpiperidine-1-carbonyl)amino]-3-phenylpropanoate
CID 54377577
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 120553712
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 24540042) is N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CC1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QOYIQAIFLCXMFD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-9-11-22(12-10-15)20(24)17(14-16-6-3-2-4-7-16)21-19(23)18-8-5-13-25-18/h2-8,13,15,17H,9-12,14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24540042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).