(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H33N3O2 — CID 112768640

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H33N3O2/c1-23(2,3)18-15-17(16-19(21(18)28)24(4,5)6)22(29)27-13-11-26(12-14-27)20-9-7-8-10-25-20/h7-10,15-16,28H,11-14H2,1-6H3
InChIKeyDSZPXVRDXKHNGB-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.34
Rot. Bonds2

About (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 112768640) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID112768640
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H33N3O2/c1-23(2,3)18-15-17(16-19(21(18)28)24(4,5)6)22(29)27-13-11-26(12-14-27)20-9-7-8-10-25-20/h7-10,15-16,28H,11-14H2,1-6H3
InChIKeyDSZPXVRDXKHNGB-UHFFFAOYSA-N
XLogP4.34
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
2,6-ditert-butyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135609546
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254495

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 112768640) is (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(C(C)(C)C)c1O.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DSZPXVRDXKHNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-23(2,3)18-15-17(16-19(21(18)28)24(4,5)6)22(29)27-13-11-26(12-14-27)20-9-7-8-10-25-20/h7-10,15-16,28H,11-14H2,1-6H3.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 395.55 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 112768640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).