N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide

C17H18N2O2S — CID 99778789

IUPACN-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2sccc2-c2ccccc2)CC1=O
InChIInChI=1S/C17H18N2O2S/c1-19-9-7-13(11-15(19)20)18-17(21)16-14(8-10-22-16)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyBUDODXDKMCSTDW-CYBMUJFWSA-N
MW314.41 g/mol
LogP2.77
Rot. Bonds3

About N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide

N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide (PubChem CID 99778789) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
PubChem CID99778789
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2sccc2-c2ccccc2)CC1=O
InChIInChI=1S/C17H18N2O2S/c1-19-9-7-13(11-15(19)20)18-17(21)16-14(8-10-22-16)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyBUDODXDKMCSTDW-CYBMUJFWSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
Proline scaffold, 28
CID 42618125
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide (CID 99778789) is N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide is CN1CC[C@@H](NC(=O)c2sccc2-c2ccccc2)CC1=O.
What is the InChIKey of N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide?
The InChIKey is BUDODXDKMCSTDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19-9-7-13(11-15(19)20)18-17(21)16-14(8-10-22-16)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide?
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 99778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).