benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate

C20H24N2O3 — CID 70673934

IUPACbenzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C20H24N2O3/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17/h1-10,18-19,21-22H,11-15H2/t18-,19+/m1/s1
InChIKeySHMFBKYBBMGQSQ-MOPGFXCFSA-N
MW340.42 g/mol
LogP2.57
Rot. Bonds7

About benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate

benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate (PubChem CID 70673934) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
PubChem CID70673934
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C20H24N2O3/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17/h1-10,18-19,21-22H,11-15H2/t18-,19+/m1/s1
InChIKeySHMFBKYBBMGQSQ-MOPGFXCFSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
benzyl [(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl] carbonate;oxalic acid
CID 121468793
benzyl (5S)-8-(phenylmethoxyamino)-6-azaspiro[2.5]octane-5-carboxylate
CID 139359846
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442
benzyl (8S)-5-(phenylmethoxyamino)-2-oxa-7-azaspiro[3.5]nonane-8-carboxylate
CID 144703250

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The IUPAC name of benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate (CID 70673934) is benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The canonical SMILES for benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate is O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.
What is the InChIKey of benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
The InChIKey is SHMFBKYBBMGQSQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17/h1-10,18-19,21-22H,11-15H2/t18-,19+/m1/s1.
What are the key properties of benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate?
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate is sourced from PubChem (CID 70673934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).