1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one

C19H28N2O3 — CID 110800010

IUPAC1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-5-6-17(22)20-11-13-21(14-12-20)18(23)15-7-9-16(10-8-15)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3
InChIKeySHQHHFWCRSCRQO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one

1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one (PubChem CID 110800010) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one
PubChem CID110800010
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-5-6-17(22)20-11-13-21(14-12-20)18(23)15-7-9-16(10-8-15)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3
InChIKeySHQHHFWCRSCRQO-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
1-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]butan-1-one
CID 110800070
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
1-[4-(4-propan-2-ylsulfanylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806065
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 36869549
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 86268139
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one (CID 110800010) is 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one?
The InChIKey is SHQHHFWCRSCRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-6-17(22)20-11-13-21(14-12-20)18(23)15-7-9-16(10-8-15)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one?
1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110800010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).