ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate

C15H22N2O3 — CID 171060032

IUPACethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1NOCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)14-10-6-7-11-17(14)16-20-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyZXQAXOHLMLGQOQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds6

About ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate

ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate (PubChem CID 171060032) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
PubChem CID171060032
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1NOCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-19-15(18)14-10-6-7-11-17(14)16-20-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3
InChIKeyZXQAXOHLMLGQOQ-UHFFFAOYSA-N
XLogP2.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
CID 170991850
1-O-benzyl 2-O-ethyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate
CID 86597994
benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 59049648
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate (CID 171060032) is ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1NOCc1ccccc1.
What is the InChIKey of ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate?
The InChIKey is ZXQAXOHLMLGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-15(18)14-10-6-7-11-17(14)16-20-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate?
ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(phenylmethoxyamino)piperidine-2-carboxylate is sourced from PubChem (CID 171060032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).