4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one

C26H40N2O2 — CID 77456649

IUPAC4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C(=O)C2CC2c2ccc(C(C)(C)C)cc2)C(CC(C)C)C(=O)N1
InChIInChI=1S/C26H40N2O2/c1-16(2)12-20-15-28(23(13-17(3)4)24(29)27-20)25(30)22-14-21(22)18-8-10-19(11-9-18)26(5,6)7/h8-11,16-17,20-23H,12-15H2,1-7H3,(H,27,29)
InChIKeyJCSAXJZQPLLGQG-UHFFFAOYSA-N
MW412.62 g/mol
LogP4.88
Rot. Bonds6

About 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one

4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one (PubChem CID 77456649) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
PubChem CID77456649
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Name4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C(=O)C2CC2c2ccc(C(C)(C)C)cc2)C(CC(C)C)C(=O)N1
InChIInChI=1S/C26H40N2O2/c1-16(2)12-20-15-28(23(13-17(3)4)24(29)27-20)25(30)22-14-21(22)18-8-10-19(11-9-18)26(5,6)7/h8-11,16-17,20-23H,12-15H2,1-7H3,(H,27,29)
InChIKeyJCSAXJZQPLLGQG-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one (CID 77456649) is 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one is CC(C)CC1CN(C(=O)C2CC2c2ccc(C(C)(C)C)cc2)C(CC(C)C)C(=O)N1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
The InChIKey is JCSAXJZQPLLGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-16(2)12-20-15-28(23(13-17(3)4)24(29)27-20)25(30)22-14-21(22)18-8-10-19(11-9-18)26(5,6)7/h8-11,16-17,20-23H,12-15H2,1-7H3,(H,27,29).
What are the key properties of 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one?
4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one has a molecular weight of 412.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 77456649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).