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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Related Compounds

methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
methyl 3-[(1-pyridin-2-ylpiperidin-4-yl)methoxy]benzoate
CID 90086497
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
N-[6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-pyridinyl]acetamide;dihydrochloride
CID 18536332
6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 102958446
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
7-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 20585859

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).