[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate

C21H22N2O5 — CID 9009258

IUPAC[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H22N2O5/c22-20(25)18-8-4-5-13-23(18)19(24)14-27-21(26)15-9-11-17(12-10-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,22,25)/t18-/m0/s1
InChIKeyISGNJELAUAOUPA-SFHVURJKSA-N
MW382.42 g/mol
LogP2.50
Rot. Bonds6

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

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate (PubChem CID 9009258) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
PubChem CID9009258
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H22N2O5/c22-20(25)18-8-4-5-13-23(18)19(24)14-27-21(26)15-9-11-17(12-10-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,22,25)/t18-/m0/s1
InChIKeyISGNJELAUAOUPA-SFHVURJKSA-N
XLogP2.50
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7838121
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 56807362
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200420
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847481
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809019
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 8849278
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate?
The IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate (CID 9009258) is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate is NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate?
The InChIKey is ISGNJELAUAOUPA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-20(25)18-8-4-5-13-23(18)19(24)14-27-21(26)15-9-11-17(12-10-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,22,25)/t18-/m0/s1.
What are the key properties of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate?
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate has a molecular weight of 382.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate is sourced from PubChem (CID 9009258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).