2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide

C15H22FN3O — CID 103352598

IUPAC2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2ccccc2F)C(CN)C1
InChIInChI=1S/C15H22FN3O/c1-2-11-7-8-19(12(9-11)10-17)15(20)18-14-6-4-3-5-13(14)16/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,20)
InChIKeySNCGATZTKGMVHX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.81
Rot. Bonds3

About 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide

2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 103352598) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID103352598
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2ccccc2F)C(CN)C1
InChIInChI=1S/C15H22FN3O/c1-2-11-7-8-19(12(9-11)10-17)15(20)18-14-6-4-3-5-13(14)16/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,20)
InChIKeySNCGATZTKGMVHX-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 103352598) is 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide is CCC1CCN(C(=O)Nc2ccccc2F)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is SNCGATZTKGMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-11-7-8-19(12(9-11)10-17)15(20)18-14-6-4-3-5-13(14)16/h3-6,11-12H,2,7-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide?
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 103352598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).