(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone

C23H23N3O2 — CID 73437845

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
InChIKeyXKUZMIUSBMCVPP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.35
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone (PubChem CID 73437845) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone
PubChem CID73437845
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
InChIKeyXKUZMIUSBMCVPP-UHFFFAOYSA-N
XLogP3.35
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone (CID 73437845) is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone is O=C(c1cccnc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone?
The InChIKey is XKUZMIUSBMCVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 73437845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).