methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate

C17H19F3N2O3 — CID 143603988

IUPACmethyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESC=CCC1C(C(=O)OC)CCCN1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O3/c1-3-5-14-11(16(24)25-2)6-4-9-22(14)15(23)12-10-21-8-7-13(12)17(18,19)20/h3,7-8,10-11,14H,1,4-6,9H2,2H3
InChIKeyBIDVTHIHFBJMBU-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.07
Rot. Bonds4

About methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate

methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 143603988) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate
PubChem CID143603988
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Namemethyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate
SMILESC=CCC1C(C(=O)OC)CCCN1C(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2O3/c1-3-5-14-11(16(24)25-2)6-4-9-22(14)15(23)12-10-21-8-7-13(12)17(18,19)20/h3,7-8,10-11,14H,1,4-6,9H2,2H3
InChIKeyBIDVTHIHFBJMBU-UHFFFAOYSA-N
XLogP3.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-fluoro-6-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidin-3-yl]methanone
CID 143604067
N-cyclopropylsulfonyl-4-[2-[1-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]phenoxy]butanamide
CID 155066316
ethane;[3-(2-fluoro-6-methoxyphenyl)pyrrolidin-1-yl]-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidin-3-yl]methanone;4-(trifluoromethyl)phenol
CID 143604039
N,N'-diamino-3-[2-[1-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]phenyl]propanimidamide
CID 155066496
4-[2-(3-dimethoxyphosphanylpropoxy)phenyl]-1-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile
CID 155066471
2-[2-[4-[2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetaldehyde;5-(trifluoromethyl)thiophen-3-ol
CID 143604131
(2-methoxyphenyl)-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone
CID 24736038
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
4-(trifluoromethyl)-N'-(1,1,1-trifluoro-2-methylpent-4-en-2-yl)pyridine-3-carbohydrazide
CID 139983759
N'-(1-prop-2-enylcyclopentyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983760
2-cyclobutyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 103168174
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate (CID 143603988) is methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate is C=CCC1C(C(=O)OC)CCCN1C(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is BIDVTHIHFBJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-3-5-14-11(16(24)25-2)6-4-9-22(14)15(23)12-10-21-8-7-13(12)17(18,19)20/h3,7-8,10-11,14H,1,4-6,9H2,2H3.
What are the key properties of methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate?
methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 356.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 143603988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).