ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate

C21H23NO3 — CID 39950024

IUPACethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H23NO3/c1-2-25-21(24)17-11-8-14-22(15-17)20(23)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3/t17-/m1/s1
InChIKeyXEMZEBOAGZBZCL-QGZVFWFLSA-N
MW337.42 g/mol
LogP3.77
Rot. Bonds4

About ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate (PubChem CID 39950024) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
PubChem CID39950024
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H23NO3/c1-2-25-21(24)17-11-8-14-22(15-17)20(23)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3/t17-/m1/s1
InChIKeyXEMZEBOAGZBZCL-QGZVFWFLSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate
CID 42942112
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl 1-[2-(1,3-dioxoisoindol-2-yl)benzoyl]piperidine-3-carboxylate
CID 168518356
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl 1-(2-methyl-1,5-diphenylpyrrole-3-carbonyl)piperidine-3-carboxylate
CID 42785349
ethyl 1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperidine-3-carboxylate
CID 55526839
ethyl (3R)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-3-carboxylate
CID 92887818

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate (CID 39950024) is ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)C1.
What is the InChIKey of ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate?
The InChIKey is XEMZEBOAGZBZCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-25-21(24)17-11-8-14-22(15-17)20(23)19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 39950024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).