1-piperidin-1-ylnonane-1,3-dione

C14H25NO2 — CID 134893639

IUPAC1-piperidin-1-ylnonane-1,3-dione
SMILESCCCCCCC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-6-9-13(16)12-14(17)15-10-7-5-8-11-15/h2-12H2,1H3
InChIKeyKXPFOQPBPYCZEY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.93
Rot. Bonds7

About 1-piperidin-1-ylnonane-1,3-dione

1-piperidin-1-ylnonane-1,3-dione (PubChem CID 134893639) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-piperidin-1-ylnonane-1,3-dione.

Molecular Properties

Compound Name1-piperidin-1-ylnonane-1,3-dione
PubChem CID134893639
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-piperidin-1-ylnonane-1,3-dione
SMILESCCCCCCC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-6-9-13(16)12-14(17)15-10-7-5-8-11-15/h2-12H2,1H3
InChIKeyKXPFOQPBPYCZEY-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-ylhexane-1,3-dione
CID 101450737
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-yloctadec-11-yn-1-one
CID 574709
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
heptacosane-10,12-dione
CID 14235516
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylnonane-1,3-dione?
The IUPAC name of 1-piperidin-1-ylnonane-1,3-dione (CID 134893639) is 1-piperidin-1-ylnonane-1,3-dione.
What is the SMILES notation for 1-piperidin-1-ylnonane-1,3-dione?
The canonical SMILES for 1-piperidin-1-ylnonane-1,3-dione is CCCCCCC(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylnonane-1,3-dione?
The InChIKey is KXPFOQPBPYCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-6-9-13(16)12-14(17)15-10-7-5-8-11-15/h2-12H2,1H3.
What are the key properties of 1-piperidin-1-ylnonane-1,3-dione?
1-piperidin-1-ylnonane-1,3-dione has a molecular weight of 239.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylnonane-1,3-dione is sourced from PubChem (CID 134893639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).