N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide

C18H20N2O2S — CID 805573

IUPACN-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)c1ccccc1)N1CCCCC1)c1cccs1
InChIInChI=1S/C18H20N2O2S/c21-16(14-8-3-1-4-9-14)17(20-11-5-2-6-12-20)19-18(22)15-10-7-13-23-15/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H,19,22)/t17-/m0/s1
InChIKeyFLCGGNJEJPRNLB-KRWDZBQOSA-N
MW328.44 g/mol
LogP3.17
Rot. Bonds5

About N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide

N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 805573) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID805573
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)c1ccccc1)N1CCCCC1)c1cccs1
InChIInChI=1S/C18H20N2O2S/c21-16(14-8-3-1-4-9-14)17(20-11-5-2-6-12-20)19-18(22)15-10-7-13-23-15/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H,19,22)/t17-/m0/s1
InChIKeyFLCGGNJEJPRNLB-KRWDZBQOSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 6541130
N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
CID 7405169
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
CID 794769
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167123

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide (CID 805573) is N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide is O=C(N[C@H](C(=O)c1ccccc1)N1CCCCC1)c1cccs1.
What is the InChIKey of N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is FLCGGNJEJPRNLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-16(14-8-3-1-4-9-14)17(20-11-5-2-6-12-20)19-18(22)15-10-7-13-23-15/h1,3-4,7-10,13,17H,2,5-6,11-12H2,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide?
N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 805573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).