3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide

C24H24N4O — CID 67195128

IUPAC3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1
InChIInChI=1S/C24H24N4O/c25-23(26)21-4-1-3-20(15-21)18-10-13-28(14-11-18)24(29)19-8-6-17(7-9-19)22-5-2-12-27-16-22/h1-9,12,15-16,18H,10-11,13-14H2,(H3,25,26)
InChIKeyAJTMIMVJSSBUDW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.05
Rot. Bonds4

About 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide

3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide (PubChem CID 67195128) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
PubChem CID67195128
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1
InChIInChI=1S/C24H24N4O/c25-23(26)21-4-1-3-20(15-21)18-10-13-28(14-11-18)24(29)19-8-6-17(7-9-19)22-5-2-12-27-16-22/h1-9,12,15-16,18H,10-11,13-14H2,(H3,25,26)
InChIKeyAJTMIMVJSSBUDW-UHFFFAOYSA-N
XLogP4.05
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide?
The IUPAC name of 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide (CID 67195128) is 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide?
The canonical SMILES for 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(C2CCN(C(=O)c3ccc(-c4cccnc4)cc3)CC2)c1.
What is the InChIKey of 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide?
The InChIKey is AJTMIMVJSSBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c25-23(26)21-4-1-3-20(15-21)18-10-13-28(14-11-18)24(29)19-8-6-17(7-9-19)22-5-2-12-27-16-22/h1-9,12,15-16,18H,10-11,13-14H2,(H3,25,26).
What are the key properties of 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide?
3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide has a molecular weight of 384.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 67195128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).