prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C15H19N3O3 — CID 108562791

IUPACprop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C15H19N3O3/c1-2-11-21-15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h2-5,8,12H,1,6-7,9-11H2,(H,17,19)
InChIKeyHIBQMOGGOJWMOL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds4

About prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate

prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 108562791) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID108562791
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nameprop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C15H19N3O3/c1-2-11-21-15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h2-5,8,12H,1,6-7,9-11H2,(H,17,19)
InChIKeyHIBQMOGGOJWMOL-UHFFFAOYSA-N
XLogP1.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108562781
prop-2-enyl 4-(4-phenoxybutanoylamino)piperidine-1-carboxylate
CID 108561202
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 108562791) is prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is C=CCOC(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is HIBQMOGGOJWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-11-21-15(20)18-9-6-12(7-10-18)17-14(19)13-5-3-4-8-16-13/h2-5,8,12H,1,6-7,9-11H2,(H,17,19).
What are the key properties of prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108562791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).