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

C22H22N2O5 — CID 8808423

IUPAC[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5/c23-21(27)18-8-4-5-13-24(18)19(25)14-29-22(28)17-11-9-16(10-12-17)20(26)15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,27)/t18-/m0/s1
InChIKeyGKNNTGNQDLLWQP-SFHVURJKSA-N
MW394.43 g/mol
LogP1.94
Rot. Bonds6

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

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 8808423) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
PubChem CID8808423
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
SMILESNC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O5/c23-21(27)18-8-4-5-13-24(18)19(25)14-29-22(28)17-11-9-16(10-12-17)20(26)15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,27)/t18-/m0/s1
InChIKeyGKNNTGNQDLLWQP-SFHVURJKSA-N
XLogP1.94
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[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-[(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] 3-methoxynaphthalene-2-carboxylate
CID 9200420
[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
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate (CID 8808423) is [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate is NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is GKNNTGNQDLLWQP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N2O5/c23-21(27)18-8-4-5-13-24(18)19(25)14-29-22(28)17-11-9-16(10-12-17)20(26)15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,27)/t18-/m0/s1.
What are the key properties of [2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate?
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 394.43 g/mol, XLogP of 1.94, 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-benzoylbenzoate is sourced from PubChem (CID 8808423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).