1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H21F3N2O2 — CID 86840347

IUPAC1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CC)C1
InChIInChI=1S/C14H21F3N2O2/c1-3-7-19(10-14(15,16)17)13(21)11-6-5-8-18(9-11)12(20)4-2/h3,11H,1,4-10H2,2H3
InChIKeyBAHYNKGVVDATRC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.21
Rot. Bonds5

About 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 86840347) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID86840347
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CC)C1
InChIInChI=1S/C14H21F3N2O2/c1-3-7-19(10-14(15,16)17)13(21)11-6-5-8-18(9-11)12(20)4-2/h3,11H,1,4-10H2,2H3
InChIKeyBAHYNKGVVDATRC-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 86840347) is 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is C=CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CC)C1.
What is the InChIKey of 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is BAHYNKGVVDATRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-7-19(10-14(15,16)17)13(21)11-6-5-8-18(9-11)12(20)4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 86840347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).