1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid

C20H22N2O4S — CID 119166031

IUPAC1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(17-7-4-12-27-17)21-16(13-14-5-2-1-3-6-14)19(24)22-10-8-15(9-11-22)20(25)26/h1-7,12,15-16H,8-11,13H2,(H,21,23)(H,25,26)
InChIKeySFFOZZIEGFEIKF-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.41
Rot. Bonds6

About 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid

1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119166031) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
PubChem CID119166031
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1)c1cccs1
InChIInChI=1S/C20H22N2O4S/c23-18(17-7-4-12-27-17)21-16(13-14-5-2-1-3-6-14)19(24)22-10-8-15(9-11-22)20(25)26/h1-7,12,15-16H,8-11,13H2,(H,21,23)(H,25,26)
InChIKeySFFOZZIEGFEIKF-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

N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24540042
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167123
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
3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
N-[(2S)-1-oxo-3-phenyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 24546080
1-[3-[4-(5-methylpyrimidin-2-yl)phenyl]-2-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 122469037
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[(2R)-1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31118974
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 16613417

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid (CID 119166031) is 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid is O=C(NC(Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1)c1cccs1.
What is the InChIKey of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is SFFOZZIEGFEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-18(17-7-4-12-27-17)21-16(13-14-5-2-1-3-6-14)19(24)22-10-8-15(9-11-22)20(25)26/h1-7,12,15-16H,8-11,13H2,(H,21,23)(H,25,26).
What are the key properties of 1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid?
1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 119166031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).