1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate

C24H43NO4 — CID 91742586

IUPAC1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C24H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-28-23(26)22-16-18-25(19-17-22)24(27)29-20-4-2/h4,22H,2-3,5-21H2,1H3
InChIKeySTTBSTOIXLJRKC-UHFFFAOYSA-N
MW409.61 g/mol
LogP6.27
Rot. Bonds16

About 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate

1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate (PubChem CID 91742586) has the molecular formula C24H43NO4 and a molecular weight of 409.61 g/mol. Its IUPAC name is 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
PubChem CID91742586
Molecular FormulaC24H43NO4
Molecular Weight409.61 g/mol
Exact Mass409.32
IUPAC Name1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCCCCCCCCCCCCC)CC1
InChIInChI=1S/C24H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-28-23(26)22-16-18-25(19-17-22)24(27)29-20-4-2/h4,22H,2-3,5-21H2,1H3
InChIKeySTTBSTOIXLJRKC-UHFFFAOYSA-N
XLogP6.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
2-O-octyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
CID 6424266
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
hexadecyl cyclopropanecarboxylate;silver
CID 87290012

Frequently Asked Questions

What is the IUPAC name of 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate (CID 91742586) is 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate is C=CCOC(=O)N1CCC(C(=O)OCCCCCCCCCCCCCC)CC1.
What is the InChIKey of 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
The InChIKey is STTBSTOIXLJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-28-23(26)22-16-18-25(19-17-22)24(27)29-20-4-2/h4,22H,2-3,5-21H2,1H3.
What are the key properties of 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate?
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate has a molecular weight of 409.61 g/mol, XLogP of 6.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 91742586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).