1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one

C14H26N2O2 — CID 145404490

IUPAC1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
SMILESCCC(C)(C)CCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-5-14(3,4)7-6-13(18)16-10-8-15(9-11-16)12(2)17/h5-11H2,1-4H3
InChIKeyIANPQRPGJKUXCE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.89
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one

1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one (PubChem CID 145404490) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
PubChem CID145404490
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
SMILESCCC(C)(C)CCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-5-14(3,4)7-6-13(18)16-10-8-15(9-11-16)12(2)17/h5-11H2,1-4H3
InChIKeyIANPQRPGJKUXCE-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one (CID 145404490) is 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one is CCC(C)(C)CCC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one?
The InChIKey is IANPQRPGJKUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-14(3,4)7-6-13(18)16-10-8-15(9-11-16)12(2)17/h5-11H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one?
1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one is sourced from PubChem (CID 145404490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).