[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate

C23H26N2O5 — CID 42004675

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H26N2O5/c1-17-6-5-9-20(14-17)29-16-22(27)30-15-21(26)25-12-10-18(11-13-25)23(28)24-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,24,28)
InChIKeyMHXBNIXXARMNRD-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.79
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate (PubChem CID 42004675) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
PubChem CID42004675
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C23H26N2O5/c1-17-6-5-9-20(14-17)29-16-22(27)30-15-21(26)25-12-10-18(11-13-25)23(28)24-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,24,28)
InChIKeyMHXBNIXXARMNRD-UHFFFAOYSA-N
XLogP2.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41405249
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468829
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate (CID 42004675) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is MHXBNIXXARMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-17-6-5-9-20(14-17)29-16-22(27)30-15-21(26)25-12-10-18(11-13-25)23(28)24-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,24,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 410.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 42004675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).