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

C18H21N2O2S+ — CID 7405169

IUPACN-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1)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)/p+1/t17-/m1/s1
InChIKeyFLCGGNJEJPRNLB-QGZVFWFLSA-O
MW329.44 g/mol
LogP1.76
Rot. Bonds5

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

N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide (PubChem CID 7405169) has the molecular formula C18H21N2O2S+ and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
PubChem CID7405169
Molecular FormulaC18H21N2O2S+
Molecular Weight329.44 g/mol
Exact Mass329.13
IUPAC NameN-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1)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)/p+1/t17-/m1/s1
InChIKeyFLCGGNJEJPRNLB-QGZVFWFLSA-O
XLogP1.76
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-oxo-2-phenyl-1-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 805573
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
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-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide (CID 7405169) is N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide is O=C(N[C@@H](C(=O)c1ccccc1)[NH+]1CCCCC1)c1cccs1.
What is the InChIKey of N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is FLCGGNJEJPRNLB-QGZVFWFLSA-O. 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)/p+1/t17-/m1/s1.
What are the key properties of N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide?
N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-oxo-2-phenyl-1-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7405169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).