(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide

C12H22N2O — CID 95292502

IUPAC(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide
SMILESCC(C)=CCN1C[C@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C12H22N2O/c1-9(2)6-7-14-8-11(12(13)15)5-4-10(14)3/h6,10-11H,4-5,7-8H2,1-3H3,(H2,13,15)/t10-,11+/m0/s1
InChIKeyFKJSFZIRCGMALS-WDEREUQCSA-N
MW210.32 g/mol
LogP1.54
Rot. Bonds3

About (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide

(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide (PubChem CID 95292502) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide
PubChem CID95292502
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide
SMILESCC(C)=CCN1C[C@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C12H22N2O/c1-9(2)6-7-14-8-11(12(13)15)5-4-10(14)3/h6,10-11H,4-5,7-8H2,1-3H3,(H2,13,15)/t10-,11+/m0/s1
InChIKeyFKJSFZIRCGMALS-WDEREUQCSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide (CID 95292502) is (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide is CC(C)=CCN1C[C@H](C(N)=O)CC[C@@H]1C.
What is the InChIKey of (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide?
The InChIKey is FKJSFZIRCGMALS-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)6-7-14-8-11(12(13)15)5-4-10(14)3/h6,10-11H,4-5,7-8H2,1-3H3,(H2,13,15)/t10-,11+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 95292502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).