(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone

C26H35N3O3 — CID 44761450

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone
SMILESCCOc1ncccc1CN1CCCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O3/c1-2-32-24-22(10-6-14-27-24)19-28-15-7-11-23(20-28)25(30)29-16-12-26(31,13-17-29)18-21-8-4-3-5-9-21/h3-6,8-10,14,23,31H,2,7,11-13,15-20H2,1H3
InChIKeyHJSCWSMZLSMDFH-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.29
Rot. Bonds7

About (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone (PubChem CID 44761450) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone
PubChem CID44761450
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone
SMILESCCOc1ncccc1CN1CCCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O3/c1-2-32-24-22(10-6-14-27-24)19-28-15-7-11-23(20-28)25(30)29-16-12-26(31,13-17-29)18-21-8-4-3-5-9-21/h3-6,8-10,14,23,31H,2,7,11-13,15-20H2,1H3
InChIKeyHJSCWSMZLSMDFH-UHFFFAOYSA-N
XLogP3.29
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone (CID 44761450) is (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone is CCOc1ncccc1CN1CCCC(C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone?
The InChIKey is HJSCWSMZLSMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-2-32-24-22(10-6-14-27-24)19-28-15-7-11-23(20-28)25(30)29-16-12-26(31,13-17-29)18-21-8-4-3-5-9-21/h3-6,8-10,14,23,31H,2,7,11-13,15-20H2,1H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone has a molecular weight of 437.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[1-[(2-ethoxy-3-pyridinyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 44761450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).