2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide

C15H20FN3O — CID 62073326

IUPAC2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20FN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20)
InChIKeyWKEONKMWWUPLDJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide

2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide (PubChem CID 62073326) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
PubChem CID62073326
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20FN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20)
InChIKeyWKEONKMWWUPLDJ-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide (CID 62073326) is 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide?
The InChIKey is WKEONKMWWUPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20).
What are the key properties of 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide?
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide has a molecular weight of 277.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 62073326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).