2-piperidin-3-ylnon-8-en-4-one

C14H25NO — CID 116594394

IUPAC2-piperidin-3-ylnon-8-en-4-one
SMILESC=CCCCC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H25NO/c1-3-4-5-8-14(16)10-12(2)13-7-6-9-15-11-13/h3,12-13,15H,1,4-11H2,2H3
InChIKeyWLOYULASOJENGD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.94
Rot. Bonds7

About 2-piperidin-3-ylnon-8-en-4-one

2-piperidin-3-ylnon-8-en-4-one (PubChem CID 116594394) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-piperidin-3-ylnon-8-en-4-one.

Molecular Properties

Compound Name2-piperidin-3-ylnon-8-en-4-one
PubChem CID116594394
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-piperidin-3-ylnon-8-en-4-one
SMILESC=CCCCC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H25NO/c1-3-4-5-8-14(16)10-12(2)13-7-6-9-15-11-13/h3,12-13,15H,1,4-11H2,2H3
InChIKeyWLOYULASOJENGD-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
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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Related Compounds

3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
6,8-dimethyl-2-piperidin-3-ylnonan-4-one
CID 114201596
1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
5-piperidin-3-ylhex-1-yn-3-one
CID 116594360
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
CID 103023956
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
1-piperidin-3-yloct-7-en-1-one
CID 107010785

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylnon-8-en-4-one?
The IUPAC name of 2-piperidin-3-ylnon-8-en-4-one (CID 116594394) is 2-piperidin-3-ylnon-8-en-4-one.
What is the SMILES notation for 2-piperidin-3-ylnon-8-en-4-one?
The canonical SMILES for 2-piperidin-3-ylnon-8-en-4-one is C=CCCCC(=O)CC(C)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylnon-8-en-4-one?
The InChIKey is WLOYULASOJENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-8-14(16)10-12(2)13-7-6-9-15-11-13/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of 2-piperidin-3-ylnon-8-en-4-one?
2-piperidin-3-ylnon-8-en-4-one has a molecular weight of 223.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylnon-8-en-4-one is sourced from PubChem (CID 116594394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).