(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C20H25N3O — CID 9228417

IUPAC(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-20(2,3)17-6-4-16(5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21-11-9-18/h4-11H,12-15H2,1-3H3
InChIKeySHDBQXMLGQXWQR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.34
Rot. Bonds2

About (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 9228417) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID9228417
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-20(2,3)17-6-4-16(5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21-11-9-18/h4-11H,12-15H2,1-3H3
InChIKeySHDBQXMLGQXWQR-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
[4-(methylsulfanylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254824
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 9228417) is (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is SHDBQXMLGQXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-20(2,3)17-6-4-16(5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21-11-9-18/h4-11H,12-15H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9228417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).