4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one

C16H28N2O2 — CID 63374451

IUPAC4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
SMILESCCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyNIZSGCZXZLGAMT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one

4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 63374451) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
PubChem CID63374451
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
SMILESCCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyNIZSGCZXZLGAMT-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one (CID 63374451) is 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one is CCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1.
What is the InChIKey of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is NIZSGCZXZLGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63374451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).