ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate

C23H28N2O3 — CID 10762341

IUPACethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)18-24-14-13-21(15-22(24)26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3/t21-/m1/s1
InChIKeyQXLYTHHWKKKQMG-OAQYLSRUSA-N
MW380.49 g/mol
LogP3.24
Rot. Bonds8

About ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate

ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate (PubChem CID 10762341) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
PubChem CID10762341
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)18-24-14-13-21(15-22(24)26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3/t21-/m1/s1
InChIKeyQXLYTHHWKKKQMG-OAQYLSRUSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate (CID 10762341) is ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate is CCOC(=O)CN1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC1=O.
What is the InChIKey of ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate?
The InChIKey is QXLYTHHWKKKQMG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-23(27)18-24-14-13-21(15-22(24)26)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3/t21-/m1/s1.
What are the key properties of ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate?
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate has a molecular weight of 380.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 10762341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).