2-(piperidine-1-carbonyloxy)non-8-enoic acid

C15H25NO4 — CID 67992263

IUPAC2-(piperidine-1-carbonyloxy)non-8-enoic acid
SMILESC=CCCCCCC(OC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-7-10-13(14(17)18)20-15(19)16-11-8-6-9-12-16/h2,13H,1,3-12H2,(H,17,18)
InChIKeyGTZXQSIMXJVGAJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.20
Rot. Bonds8

About 2-(piperidine-1-carbonyloxy)non-8-enoic acid

2-(piperidine-1-carbonyloxy)non-8-enoic acid (PubChem CID 67992263) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyloxy)non-8-enoic acid.

Molecular Properties

Compound Name2-(piperidine-1-carbonyloxy)non-8-enoic acid
PubChem CID67992263
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(piperidine-1-carbonyloxy)non-8-enoic acid
SMILESC=CCCCCCC(OC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-7-10-13(14(17)18)20-15(19)16-11-8-6-9-12-16/h2,13H,1,3-12H2,(H,17,18)
InChIKeyGTZXQSIMXJVGAJ-UHFFFAOYSA-N
XLogP3.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-methylnon-8-enoic acid
CID 129385535
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
2-pentyldec-9-enoic acid
CID 175975601
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
(Z)-2-octadec-2-enoyloxyoctadec-9-enoic acid
CID 173127427
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
1-hept-6-enylpiperidine
CID 143080853
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
ethyl azacycloundecane-1-carboxylate
CID 67670496
nonacosa-1,28-dien-15-yl acetate
CID 101064980
(2E)-1-piperidin-1-ylhepta-2,6-dien-1-one
CID 90335627

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyloxy)non-8-enoic acid?
The IUPAC name of 2-(piperidine-1-carbonyloxy)non-8-enoic acid (CID 67992263) is 2-(piperidine-1-carbonyloxy)non-8-enoic acid.
What is the SMILES notation for 2-(piperidine-1-carbonyloxy)non-8-enoic acid?
The canonical SMILES for 2-(piperidine-1-carbonyloxy)non-8-enoic acid is C=CCCCCCC(OC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-(piperidine-1-carbonyloxy)non-8-enoic acid?
The InChIKey is GTZXQSIMXJVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-5-7-10-13(14(17)18)20-15(19)16-11-8-6-9-12-16/h2,13H,1,3-12H2,(H,17,18).
What are the key properties of 2-(piperidine-1-carbonyloxy)non-8-enoic acid?
2-(piperidine-1-carbonyloxy)non-8-enoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyloxy)non-8-enoic acid is sourced from PubChem (CID 67992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).