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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Related Compounds

1-(4-acetylpiperazin-1-yl)-4,4,5-trimethylhexan-1-one
CID 138648009
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
CID 7023643
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
1-(4-acetylpiperazin-1-yl)-3-bromopropan-1-one;bromomethane
CID 143056300
5-(4-acetylpiperazin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 60699624
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride
CID 119779693
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991

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).