ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate

C22H26N2O3 — CID 8533241

IUPACethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)18-11-8-14-24(15-18)16-21(25)23-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyRPODCSPWJQTFMG-SFHVURJKSA-N
MW366.46 g/mol
LogP3.57
Rot. Bonds6

About ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate (PubChem CID 8533241) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
PubChem CID8533241
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)18-11-8-14-24(15-18)16-21(25)23-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyRPODCSPWJQTFMG-SFHVURJKSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058
ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
ethyl (3S)-1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]piperidine-3-carboxylate
CID 9035095
ethyl (3R)-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532262
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;oxalic acid
CID 171154477
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate (CID 8533241) is ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2-c2ccccc2)C1.
What is the InChIKey of ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate?
The InChIKey is RPODCSPWJQTFMG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-22(26)18-11-8-14-24(15-18)16-21(25)23-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8533241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).