dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium

C21H28N3O2S+ — CID 8938106

IUPACdimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-23(2)15-18(16-7-4-3-5-8-16)22-20(25)17-10-12-24(13-11-17)21(26)19-9-6-14-27-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1
InChIKeyNDRJJWMREYLRDL-GOSISDBHSA-O
MW386.54 g/mol
LogP1.60
Rot. Bonds6

About dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium

dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium (PubChem CID 8938106) has the molecular formula C21H28N3O2S+ and a molecular weight of 386.54 g/mol. Its IUPAC name is dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
PubChem CID8938106
Molecular FormulaC21H28N3O2S+
Molecular Weight386.54 g/mol
Exact Mass386.19
IUPAC Namedimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
SMILESC[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-23(2)15-18(16-7-4-3-5-8-16)22-20(25)17-10-12-24(13-11-17)21(26)19-9-6-14-27-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1
InChIKeyNDRJJWMREYLRDL-GOSISDBHSA-O
XLogP1.60
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium with MolForge

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150147
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150146
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 134061219
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 136580816

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium (CID 8938106) is dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium is C[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium?
The InChIKey is NDRJJWMREYLRDL-GOSISDBHSA-O. The full InChI is InChI=1S/C21H27N3O2S/c1-23(2)15-18(16-7-4-3-5-8-16)22-20(25)17-10-12-24(13-11-17)21(26)19-9-6-14-27-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1.
What are the key properties of dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium?
dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium has a molecular weight of 386.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium is sourced from PubChem (CID 8938106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).