decyl 1-prop-2-enoylpiperidine-4-carboxylate

C19H33NO3 — CID 91739930

IUPACdecyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCCCCCC)CC1
InChIInChI=1S/C19H33NO3/c1-3-5-6-7-8-9-10-11-16-23-19(22)17-12-14-20(15-13-17)18(21)4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyCQNPAYCNPBCVLR-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.09
Rot. Bonds11

About decyl 1-prop-2-enoylpiperidine-4-carboxylate

decyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 91739930) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is decyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namedecyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID91739930
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Namedecyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OCCCCCCCCCC)CC1
InChIInChI=1S/C19H33NO3/c1-3-5-6-7-8-9-10-11-16-23-19(22)17-12-14-20(15-13-17)18(21)4-2/h4,17H,2-3,5-16H2,1H3
InChIKeyCQNPAYCNPBCVLR-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of decyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of decyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 91739930) is decyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for decyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for decyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OCCCCCCCCCC)CC1.
What is the InChIKey of decyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is CQNPAYCNPBCVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-3-5-6-7-8-9-10-11-16-23-19(22)17-12-14-20(15-13-17)18(21)4-2/h4,17H,2-3,5-16H2,1H3.
What are the key properties of decyl 1-prop-2-enoylpiperidine-4-carboxylate?
decyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 91739930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).