3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide

C15H22FN3O2 — CID 141199005

IUPAC3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide
SMILESCCN1CCC(NC(=O)c2cc(OC)cc(N)c2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-3-19-6-4-10(5-7-19)18-15(20)12-8-11(21-2)9-13(17)14(12)16/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyYJRZYVPUJVVCTO-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.63
Rot. Bonds4

About 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide

3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide (PubChem CID 141199005) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide
PubChem CID141199005
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide
SMILESCCN1CCC(NC(=O)c2cc(OC)cc(N)c2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-3-19-6-4-10(5-7-19)18-15(20)12-8-11(21-2)9-13(17)14(12)16/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKeyYJRZYVPUJVVCTO-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide (CID 141199005) is 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide is CCN1CCC(NC(=O)c2cc(OC)cc(N)c2F)CC1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide?
The InChIKey is YJRZYVPUJVVCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-19-6-4-10(5-7-19)18-15(20)12-8-11(21-2)9-13(17)14(12)16/h8-10H,3-7,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide?
3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide has a molecular weight of 295.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide is sourced from PubChem (CID 141199005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).