1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione

C17H24N2O2 — CID 91004491

IUPAC1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESCC(C)N1CCN(C(=O)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-14(2)18-10-12-19(13-11-18)17(21)9-8-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyXXHRWZQKBRJGMT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds5

About 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione

1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione (PubChem CID 91004491) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
PubChem CID91004491
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
SMILESCC(C)N1CCN(C(=O)CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-14(2)18-10-12-19(13-11-18)17(21)9-8-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyXXHRWZQKBRJGMT-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 55636664
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-(1,4-diazepan-1-yl)-4-phenylbutane-1,4-dione;hydrochloride
CID 119418359
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
1-(1-phenylethenyl)-4-propan-2-ylpiperazine
CID 122606078

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione?
The IUPAC name of 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione (CID 91004491) is 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione is CC(C)N1CCN(C(=O)CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione?
The InChIKey is XXHRWZQKBRJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)18-10-12-19(13-11-18)17(21)9-8-16(20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione?
1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione has a molecular weight of 288.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione is sourced from PubChem (CID 91004491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).