(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride

C14H26ClN3O2 — CID 139529845

IUPAC(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
SMILESC=C[C@@H]1CNC[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C1.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-6-11-7-14(9-15-8-11,16-10(2)18)12(19)17-13(3,4)5;/h6,11,15H,1,7-9H2,2-5H3,(H,16,18)(H,17,19);1H/t11-,14+;/m0./s1
InChIKeyJPHKJSSJLPINKQ-YECZQDJWSA-N
MW303.83 g/mol
LogP0.99
Rot. Bonds3

About (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride

(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride (PubChem CID 139529845) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
PubChem CID139529845
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride
SMILESC=C[C@@H]1CNC[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C1.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-6-11-7-14(9-15-8-11,16-10(2)18)12(19)17-13(3,4)5;/h6,11,15H,1,7-9H2,2-5H3,(H,16,18)(H,17,19);1H/t11-,14+;/m0./s1
InChIKeyJPHKJSSJLPINKQ-YECZQDJWSA-N
XLogP0.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride (CID 139529845) is (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride is C=C[C@@H]1CNC[C@@](NC(C)=O)(C(=O)NC(C)(C)C)C1.Cl.
What is the InChIKey of (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is JPHKJSSJLPINKQ-YECZQDJWSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-6-11-7-14(9-15-8-11,16-10(2)18)12(19)17-13(3,4)5;/h6,11,15H,1,7-9H2,2-5H3,(H,16,18)(H,17,19);1H/t11-,14+;/m0./s1.
What are the key properties of (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride?
(3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-acetamido-N-tert-butyl-5-ethenylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 139529845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).