(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one

C15H27NO — CID 102353433

IUPAC(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one
SMILESC/C=C/[C@H]1N[C@H](CCC)[C@H](CC)C(=O)[C@H]1CC
InChIInChI=1S/C15H27NO/c1-5-9-13-11(7-3)15(17)12(8-4)14(16-13)10-6-2/h5,9,11-14,16H,6-8,10H2,1-4H3/b9-5+/t11-,12-,13+,14+/m0/s1
InChIKeySRWKESYCUWYBQS-YOQIYIIKSA-N
MW237.39 g/mol
LogP3.32
Rot. Bonds5

About (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one

(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one (PubChem CID 102353433) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one
PubChem CID102353433
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one
SMILESC/C=C/[C@H]1N[C@H](CCC)[C@H](CC)C(=O)[C@H]1CC
InChIInChI=1S/C15H27NO/c1-5-9-13-11(7-3)15(17)12(8-4)14(16-13)10-6-2/h5,9,11-14,16H,6-8,10H2,1-4H3/b9-5+/t11-,12-,13+,14+/m0/s1
InChIKeySRWKESYCUWYBQS-YOQIYIIKSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.32
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 (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one?
The IUPAC name of (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one (CID 102353433) is (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one?
The canonical SMILES for (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one is C/C=C/[C@H]1N[C@H](CCC)[C@H](CC)C(=O)[C@H]1CC.
What is the InChIKey of (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one?
The InChIKey is SRWKESYCUWYBQS-YOQIYIIKSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-9-13-11(7-3)15(17)12(8-4)14(16-13)10-6-2/h5,9,11-14,16H,6-8,10H2,1-4H3/b9-5+/t11-,12-,13+,14+/m0/s1.
What are the key properties of (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one?
(2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6R)-3,5-diethyl-2-[(E)-prop-1-enyl]-6-propylpiperidin-4-one is sourced from PubChem (CID 102353433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).