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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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).