2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide

C25H36N4O3 — CID 71625324

IUPAC2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2N2CCCCC2)cn1
InChIInChI=1S/C25H36N4O3/c1-25(2,3)19-8-10-22(21(16-19)29-12-6-5-7-13-29)32-18-24(31)27-20-9-11-23(26-17-20)28(4)14-15-30/h8-11,16-17,30H,5-7,12-15,18H2,1-4H3,(H,27,31)
InChIKeyRYPQPFCZELWLRF-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.82
Rot. Bonds8

About 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide

2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide (PubChem CID 71625324) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
PubChem CID71625324
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2N2CCCCC2)cn1
InChIInChI=1S/C25H36N4O3/c1-25(2,3)19-8-10-22(21(16-19)29-12-6-5-7-13-29)32-18-24(31)27-20-9-11-23(26-17-20)28(4)14-15-30/h8-11,16-17,30H,5-7,12-15,18H2,1-4H3,(H,27,31)
InChIKeyRYPQPFCZELWLRF-UHFFFAOYSA-N
XLogP3.82
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide (CID 71625324) is 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide is CN(CCO)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2N2CCCCC2)cn1.
What is the InChIKey of 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The InChIKey is RYPQPFCZELWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-25(2,3)19-8-10-22(21(16-19)29-12-6-5-7-13-29)32-18-24(31)27-20-9-11-23(26-17-20)28(4)14-15-30/h8-11,16-17,30H,5-7,12-15,18H2,1-4H3,(H,27,31).
What are the key properties of 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide has a molecular weight of 440.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-piperidin-1-ylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 71625324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).