1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

C20H22N2O4S — CID 119167123

IUPAC1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(17-9-5-11-27-17)21-16(12-14-6-2-1-3-7-14)19(24)22-10-4-8-15(13-22)20(25)26/h1-3,5-7,9,11,15-16H,4,8,10,12-13H2,(H,21,23)(H,25,26)
InChIKeyDHNUKLQKNQCXBI-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.41
Rot. Bonds6

About 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 119167123) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID119167123
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1)c1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(17-9-5-11-27-17)21-16(12-14-6-2-1-3-7-14)19(24)22-10-4-8-15(13-22)20(25)26/h1-3,5-7,9,11,15-16H,4,8,10,12-13H2,(H,21,23)(H,25,26)
InChIKeyDHNUKLQKNQCXBI-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166031
1-[3-[4-(5-methylpyrimidin-2-yl)phenyl]-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122469037
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112763178
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (CID 119167123) is 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is O=C(NC(Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1)c1cccs1.
What is the InChIKey of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is DHNUKLQKNQCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-18(17-9-5-11-27-17)21-16(12-14-6-2-1-3-7-14)19(24)22-10-4-8-15(13-22)20(25)26/h1-3,5-7,9,11,15-16H,4,8,10,12-13H2,(H,21,23)(H,25,26).
What are the key properties of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 386.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).