ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate

C17H24N2O3 — CID 8532808

IUPACethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)15-9-6-10-19(12-15)13-16(20)18-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyAVTXZXBPXSWWDG-HNNXBMFYSA-N
MW304.39 g/mol
LogP1.58
Rot. Bonds6

About ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8532808) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8532808
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)15-9-6-10-19(12-15)13-16(20)18-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyAVTXZXBPXSWWDG-HNNXBMFYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561943
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241
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 (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
CID 8560001

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 8532808) is ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is AVTXZXBPXSWWDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-17(21)15-9-6-10-19(12-15)13-16(20)18-11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.58, 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-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).