benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate

C15H19N3O2 — CID 156834359

IUPACbenzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate
SMILESN#C[C@@H]1CCC(NCC(=O)OCc2ccccc2)CN1
InChIInChI=1S/C15H19N3O2/c16-8-13-6-7-14(9-17-13)18-10-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-7,9-11H2/t13-,14?/m0/s1
InChIKeyPSFSJFXYFSCIDL-LSLKUGRBSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds5

About benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate

benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate (PubChem CID 156834359) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate
PubChem CID156834359
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namebenzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate
SMILESN#C[C@@H]1CCC(NCC(=O)OCc2ccccc2)CN1
InChIInChI=1S/C15H19N3O2/c16-8-13-6-7-14(9-17-13)18-10-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-7,9-11H2/t13-,14?/m0/s1
InChIKeyPSFSJFXYFSCIDL-LSLKUGRBSA-N
XLogP0.96
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
benzyl (2S,5R)-5-cyanopyrrolidine-2-carboxylate
CID 123705282
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
benzyl [(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl] carbonate;oxalic acid
CID 121468793
benzyl 2-cyanoacetate
CID 560818
6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate?
The IUPAC name of benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate (CID 156834359) is benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate.
What is the SMILES notation for benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate?
The canonical SMILES for benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate is N#C[C@@H]1CCC(NCC(=O)OCc2ccccc2)CN1.
What is the InChIKey of benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate?
The InChIKey is PSFSJFXYFSCIDL-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-8-13-6-7-14(9-17-13)18-10-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-7,9-11H2/t13-,14?/m0/s1.
What are the key properties of benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate?
benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate has a molecular weight of 273.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(6S)-6-cyanopiperidin-3-yl]amino]acetate is sourced from PubChem (CID 156834359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).