3-(1-acetylpiperidin-4-yl)benzenecarboximidamide

C14H19N3O — CID 59887849

IUPAC3-(1-acetylpiperidin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C14H19N3O/c1-10(18)17-7-5-11(6-8-17)12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8H2,1H3,(H3,15,16)
InChIKeyXPIYZGVTZWRATB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds2

About 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide

3-(1-acetylpiperidin-4-yl)benzenecarboximidamide (PubChem CID 59887849) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)benzenecarboximidamide
PubChem CID59887849
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(1-acetylpiperidin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C14H19N3O/c1-10(18)17-7-5-11(6-8-17)12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8H2,1H3,(H3,15,16)
InChIKeyXPIYZGVTZWRATB-UHFFFAOYSA-N
XLogP1.70
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide (CID 59887849) is 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide?
The InChIKey is XPIYZGVTZWRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(18)17-7-5-11(6-8-17)12-3-2-4-13(9-12)14(15)16/h2-4,9,11H,5-8H2,1H3,(H3,15,16).
What are the key properties of 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide?
3-(1-acetylpiperidin-4-yl)benzenecarboximidamide has a molecular weight of 245.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 59887849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).