[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate

C16H20N2O5 — CID 7980424

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H20N2O5/c17-16(21)12-6-8-18(9-7-12)14(19)10-23-15(20)11-22-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,17,21)
InChIKeyDCTIAGJLLVIPRL-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.33
Rot. Bonds6

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 7980424) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
PubChem CID7980424
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
SMILESNC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2)CC1
InChIInChI=1S/C16H20N2O5/c17-16(21)12-6-8-18(9-7-12)14(19)10-23-15(20)11-22-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,17,21)
InChIKeyDCTIAGJLLVIPRL-UHFFFAOYSA-N
XLogP0.33
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525807
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 9018061
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate (CID 7980424) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate is NC(=O)C1CCN(C(=O)COC(=O)COc2ccccc2)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is DCTIAGJLLVIPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c17-16(21)12-6-8-18(9-7-12)14(19)10-23-15(20)11-22-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,17,21).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 320.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 7980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).