[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

C20H25N5O6S — CID 55999493

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cn1
InChIInChI=1S/C20H25N5O6S/c1-24-13-17(11-21-24)32(29,30)22-12-19(27)31-14-18(26)25-9-7-15(8-10-25)20(28)23-16-5-3-2-4-6-16/h2-6,11,13,15,22H,7-10,12,14H2,1H3,(H,23,28)
InChIKeyFTATVVXQOKJTIX-UHFFFAOYSA-N
MW463.52 g/mol
LogP0.12
Rot. Bonds8

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 55999493) has the molecular formula C20H25N5O6S and a molecular weight of 463.52 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID55999493
Molecular FormulaC20H25N5O6S
Molecular Weight463.52 g/mol
Exact Mass463.15
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cn1
InChIInChI=1S/C20H25N5O6S/c1-24-13-17(11-21-24)32(29,30)22-12-19(27)31-14-18(26)25-9-7-15(8-10-25)20(28)23-16-5-3-2-4-6-16/h2-6,11,13,15,22H,7-10,12,14H2,1H3,(H,23,28)
InChIKeyFTATVVXQOKJTIX-UHFFFAOYSA-N
XLogP0.12
TPSA139.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701470
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 42090586
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701304
1-[2-(3-methoxypropylsulfonylamino)acetyl]-N-phenylpiperidine-4-carboxamide
CID 71846024
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (CID 55999493) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cn1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is FTATVVXQOKJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6S/c1-24-13-17(11-21-24)32(29,30)22-12-19(27)31-14-18(26)25-9-7-15(8-10-25)20(28)23-16-5-3-2-4-6-16/h2-6,11,13,15,22H,7-10,12,14H2,1H3,(H,23,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 463.52 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 55999493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).