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

C17H23FN2O3 — CID 8561943

IUPACethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1
InChIInChI=1S/C17H23FN2O3/c1-2-23-17(22)14-7-5-9-20(11-14)12-16(21)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyGSCWQFOUGVKQDQ-AWEZNQCLSA-N
MW322.38 g/mol
LogP1.72
Rot. Bonds6

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

ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8561943) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8561943
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nameethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1
InChIInChI=1S/C17H23FN2O3/c1-2-23-17(22)14-7-5-9-20(11-14)12-16(21)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyGSCWQFOUGVKQDQ-AWEZNQCLSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate (CID 8561943) is ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1.
What is the InChIKey of ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is GSCWQFOUGVKQDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-23-17(22)14-7-5-9-20(11-14)12-16(21)19-10-13-6-3-4-8-15(13)18/h3-4,6,8,14H,2,5,7,9-12H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 1.72, 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-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8561943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).