4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide

C17H32FN3O2 — CID 166586202

IUPAC4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCOCCN1CCC(F)CC1
InChIInChI=1S/C17H32FN3O2/c1-13-12-15(19)2-3-16(13)17(22)20-6-10-23-11-9-21-7-4-14(18)5-8-21/h13-16H,2-12,19H2,1H3,(H,20,22)
InChIKeyJAZQHGZTHGQOPH-UHFFFAOYSA-N
MW329.46 g/mol
LogP1.32
Rot. Bonds7

About 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide

4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 166586202) has the molecular formula C17H32FN3O2 and a molecular weight of 329.46 g/mol. Its IUPAC name is 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide
PubChem CID166586202
Molecular FormulaC17H32FN3O2
Molecular Weight329.46 g/mol
Exact Mass329.25
IUPAC Name4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCOCCN1CCC(F)CC1
InChIInChI=1S/C17H32FN3O2/c1-13-12-15(19)2-3-16(13)17(22)20-6-10-23-11-9-21-7-4-14(18)5-8-21/h13-16H,2-12,19H2,1H3,(H,20,22)
InChIKeyJAZQHGZTHGQOPH-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide (CID 166586202) is 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCCOCCN1CCC(F)CC1.
What is the InChIKey of 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is JAZQHGZTHGQOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O2/c1-13-12-15(19)2-3-16(13)17(22)20-6-10-23-11-9-21-7-4-14(18)5-8-21/h13-16H,2-12,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide?
4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 329.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166586202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).