6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide

C20H24N4O2 — CID 118134686

IUPAC6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(COc3cccc(C(C)=O)c3)CC2)nc1
InChIInChI=1S/C20H24N4O2/c1-14(25)16-3-2-4-18(11-16)26-13-15-7-9-24(10-8-15)19-6-5-17(12-23-19)20(21)22/h2-6,11-12,15H,7-10,13H2,1H3,(H3,21,22)
InChIKeyFWCLOJVNLPTGAR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.86
Rot. Bonds6

About 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide

6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide (PubChem CID 118134686) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
PubChem CID118134686
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(COc3cccc(C(C)=O)c3)CC2)nc1
InChIInChI=1S/C20H24N4O2/c1-14(25)16-3-2-4-18(11-16)26-13-15-7-9-24(10-8-15)19-6-5-17(12-23-19)20(21)22/h2-6,11-12,15H,7-10,13H2,1H3,(H3,21,22)
InChIKeyFWCLOJVNLPTGAR-UHFFFAOYSA-N
XLogP2.86
TPSA92.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide (CID 118134686) is 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCC(COc3cccc(C(C)=O)c3)CC2)nc1.
What is the InChIKey of 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide?
The InChIKey is FWCLOJVNLPTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(25)16-3-2-4-18(11-16)26-13-15-7-9-24(10-8-15)19-6-5-17(12-23-19)20(21)22/h2-6,11-12,15H,7-10,13H2,1H3,(H3,21,22).
What are the key properties of 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide?
6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide has a molecular weight of 352.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 118134686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).