(3S)-3-piperidin-1-yldec-9-en-2-one

C15H27NO — CID 59578332

IUPAC(3S)-3-piperidin-1-yldec-9-en-2-one
SMILESC=CCCCCC[C@@H](C(C)=O)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-8-11-15(14(2)17)16-12-9-7-10-13-16/h3,15H,1,4-13H2,2H3/t15-/m0/s1
InChIKeyOMBJRKHKHQNMLC-HNNXBMFYSA-N
MW237.39 g/mol
LogP3.57
Rot. Bonds8

About (3S)-3-piperidin-1-yldec-9-en-2-one

(3S)-3-piperidin-1-yldec-9-en-2-one (PubChem CID 59578332) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3S)-3-piperidin-1-yldec-9-en-2-one.

Molecular Properties

Compound Name(3S)-3-piperidin-1-yldec-9-en-2-one
PubChem CID59578332
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3S)-3-piperidin-1-yldec-9-en-2-one
SMILESC=CCCCCC[C@@H](C(C)=O)N1CCCCC1
InChIInChI=1S/C15H27NO/c1-3-4-5-6-8-11-15(14(2)17)16-12-9-7-10-13-16/h3,15H,1,4-13H2,2H3/t15-/m0/s1
InChIKeyOMBJRKHKHQNMLC-HNNXBMFYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.57
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-piperidin-1-yldec-9-en-2-one?
The IUPAC name of (3S)-3-piperidin-1-yldec-9-en-2-one (CID 59578332) is (3S)-3-piperidin-1-yldec-9-en-2-one.
What is the SMILES notation for (3S)-3-piperidin-1-yldec-9-en-2-one?
The canonical SMILES for (3S)-3-piperidin-1-yldec-9-en-2-one is C=CCCCCC[C@@H](C(C)=O)N1CCCCC1.
What is the InChIKey of (3S)-3-piperidin-1-yldec-9-en-2-one?
The InChIKey is OMBJRKHKHQNMLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-8-11-15(14(2)17)16-12-9-7-10-13-16/h3,15H,1,4-13H2,2H3/t15-/m0/s1.
What are the key properties of (3S)-3-piperidin-1-yldec-9-en-2-one?
(3S)-3-piperidin-1-yldec-9-en-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-piperidin-1-yldec-9-en-2-one is sourced from PubChem (CID 59578332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).