(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone

C28H29N5O2 — CID 129315592

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C28H29N5O2/c1-19-20(2)32-26(31-19)25-15-22(8-11-30-25)23-14-24(18-29-17-23)27(34)33-12-9-28(35,10-13-33)16-21-6-4-3-5-7-21/h3-8,11,14-15,17-18,35H,9-10,12-13,16H2,1-2H3,(H,31,32)
InChIKeyOGNJWBFAVKMMLP-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.36
Rot. Bonds5

About (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone (PubChem CID 129315592) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
PubChem CID129315592
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C28H29N5O2/c1-19-20(2)32-26(31-19)25-15-22(8-11-30-25)23-14-24(18-29-17-23)27(34)33-12-9-28(35,10-13-33)16-21-6-4-3-5-7-21/h3-8,11,14-15,17-18,35H,9-10,12-13,16H2,1-2H3,(H,31,32)
InChIKeyOGNJWBFAVKMMLP-UHFFFAOYSA-N
XLogP4.36
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone (CID 129315592) is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The InChIKey is OGNJWBFAVKMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-19-20(2)32-26(31-19)25-15-22(8-11-30-25)23-14-24(18-29-17-23)27(34)33-12-9-28(35,10-13-33)16-21-6-4-3-5-7-21/h3-8,11,14-15,17-18,35H,9-10,12-13,16H2,1-2H3,(H,31,32).
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone has a molecular weight of 467.57 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone is sourced from PubChem (CID 129315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).