methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate

C14H18N4O2 — CID 70696895

IUPACmethyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(N=[N+]=[N-])cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)17-18-15/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyPPUPWUDKXPTAMV-CHWSQXEVSA-N
MW274.32 g/mol
LogP3.03
Rot. Bonds4

About methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 70696895) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID70696895
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(N=[N+]=[N-])cc1)[C@H]1CCCCN1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)17-18-15/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyPPUPWUDKXPTAMV-CHWSQXEVSA-N
XLogP3.03
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 70696895) is methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccc(N=[N+]=[N-])cc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is PPUPWUDKXPTAMV-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)13(12-4-2-3-9-16-12)10-5-7-11(8-6-10)17-18-15/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 274.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-azidophenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 70696895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).