(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione

C17H29NO2 — CID 89301400

IUPAC(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione
SMILESC=CCCCCC[C@H](CC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-8-11-16(15(2)19)14-17(20)18-12-9-7-10-13-18/h3,16H,1,4-14H2,2H3/t16-/m1/s1
InChIKeyMECGFPHDDWDBQT-MRXNPFEDSA-N
MW279.42 g/mol
LogP3.73
Rot. Bonds9

About (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione

(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione (PubChem CID 89301400) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione.

Molecular Properties

Compound Name(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione
PubChem CID89301400
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione
SMILESC=CCCCCC[C@H](CC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-8-11-16(15(2)19)14-17(20)18-12-9-7-10-13-18/h3,16H,1,4-14H2,2H3/t16-/m1/s1
InChIKeyMECGFPHDDWDBQT-MRXNPFEDSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione?
The IUPAC name of (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione (CID 89301400) is (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione.
What is the SMILES notation for (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione?
The canonical SMILES for (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione is C=CCCCCC[C@H](CC(=O)N1CCCCC1)C(C)=O.
What is the InChIKey of (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione?
The InChIKey is MECGFPHDDWDBQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-8-11-16(15(2)19)14-17(20)18-12-9-7-10-13-18/h3,16H,1,4-14H2,2H3/t16-/m1/s1.
What are the key properties of (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione?
(3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione has a molecular weight of 279.42 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hept-6-enyl-1-piperidin-1-ylpentane-1,4-dione is sourced from PubChem (CID 89301400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).