(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide

C13H23N3O — CID 166915138

IUPAC(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
SMILESC=C[C@H]1CC[C@@H](/C(=N/C)NCC)CN1C(C)=O
InChIInChI=1S/C13H23N3O/c1-5-12-8-7-11(9-16(12)10(3)17)13(14-4)15-6-2/h5,11-12H,1,6-9H2,2-4H3,(H,14,15)/t11-,12+/m1/s1
InChIKeyCWLIZAKLNPROAP-NEPJUHHUSA-N
MW237.35 g/mol
LogP1.44
Rot. Bonds3

About (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide

(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide (PubChem CID 166915138) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
PubChem CID166915138
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
SMILESC=C[C@H]1CC[C@@H](/C(=N/C)NCC)CN1C(C)=O
InChIInChI=1S/C13H23N3O/c1-5-12-8-7-11(9-16(12)10(3)17)13(14-4)15-6-2/h5,11-12H,1,6-9H2,2-4H3,(H,14,15)/t11-,12+/m1/s1
InChIKeyCWLIZAKLNPROAP-NEPJUHHUSA-N
XLogP1.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide?
The IUPAC name of (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide (CID 166915138) is (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide.
What is the SMILES notation for (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide?
The canonical SMILES for (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide is C=C[C@H]1CC[C@@H](/C(=N/C)NCC)CN1C(C)=O.
What is the InChIKey of (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide?
The InChIKey is CWLIZAKLNPROAP-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12-8-7-11(9-16(12)10(3)17)13(14-4)15-6-2/h5,11-12H,1,6-9H2,2-4H3,(H,14,15)/t11-,12+/m1/s1.
What are the key properties of (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide?
(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide has a molecular weight of 237.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide is sourced from PubChem (CID 166915138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).