1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one

C18H26N2O3 — CID 110800028

IUPAC1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-5-17(21)19-10-12-20(13-11-19)18(22)15-6-8-16(9-7-15)23-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyUFUZCUVMYFDUGM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one

1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 110800028) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
PubChem CID110800028
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-4-5-17(21)19-10-12-20(13-11-19)18(22)15-6-8-16(9-7-15)23-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyUFUZCUVMYFDUGM-UHFFFAOYSA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one
CID 110800010
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
1-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]butan-1-one
CID 110800070
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
1-[4-(4-propan-2-ylsulfanylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806065
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 110802129
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17110031
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one (CID 110800028) is 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is UFUZCUVMYFDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-17(21)19-10-12-20(13-11-19)18(22)15-6-8-16(9-7-15)23-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one?
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110800028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).