4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one

C25H26N2O2 — CID 172656930

IUPAC4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one
SMILESCC(C)(C)c1cccc(-c2ccc3cc(C(=O)N4CCNC(=O)C4)ccc3c2)c1
InChIInChI=1S/C25H26N2O2/c1-25(2,3)22-6-4-5-17(15-22)18-7-8-20-14-21(10-9-19(20)13-18)24(29)27-12-11-26-23(28)16-27/h4-10,13-15H,11-12,16H2,1-3H3,(H,26,28)
InChIKeyXCBAHIFUHMZMHO-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.38
Rot. Bonds2

About 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one

4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one (PubChem CID 172656930) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one
PubChem CID172656930
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one
SMILESCC(C)(C)c1cccc(-c2ccc3cc(C(=O)N4CCNC(=O)C4)ccc3c2)c1
InChIInChI=1S/C25H26N2O2/c1-25(2,3)22-6-4-5-17(15-22)18-7-8-20-14-21(10-9-19(20)13-18)24(29)27-12-11-26-23(28)16-27/h4-10,13-15H,11-12,16H2,1-3H3,(H,26,28)
InChIKeyXCBAHIFUHMZMHO-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(1-methylindol-5-yl)naphthalene-2-carbonyl]piperazin-2-one
CID 175643089
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
3-(3-oxopiperazine-1-carbonyl)benzaldehyde
CID 90105088
4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
CID 60645920
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
CID 121495348
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one (CID 172656930) is 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one is CC(C)(C)c1cccc(-c2ccc3cc(C(=O)N4CCNC(=O)C4)ccc3c2)c1.
What is the InChIKey of 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one?
The InChIKey is XCBAHIFUHMZMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-25(2,3)22-6-4-5-17(15-22)18-7-8-20-14-21(10-9-19(20)13-18)24(29)27-12-11-26-23(28)16-27/h4-10,13-15H,11-12,16H2,1-3H3,(H,26,28).
What are the key properties of 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one?
4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-tert-butylphenyl)naphthalene-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 172656930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).