1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one

C19H28N2O2 — CID 110799985

IUPAC1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCCc1ccc(C(=O)N2CCN(C(=O)CCC)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-5-7-16-8-10-17(11-9-16)19(23)21-14-12-20(13-15-21)18(22)6-4-2/h8-11H,3-7,12-15H2,1-2H3
InChIKeyZJVNKKLPACAEJG-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.11
Rot. Bonds6

About 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one

1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 110799985) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
PubChem CID110799985
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCCc1ccc(C(=O)N2CCN(C(=O)CCC)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-3-5-7-16-8-10-17(11-9-16)19(23)21-14-12-20(13-15-21)18(22)6-4-2/h8-11H,3-7,12-15H2,1-2H3
InChIKeyZJVNKKLPACAEJG-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
4-(4-butylbenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813413
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
1-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperazin-1-yl]butan-1-one
CID 110800010
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 90987266
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
1-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]butan-1-one
CID 110800070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one (CID 110799985) is 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one is CCCCc1ccc(C(=O)N2CCN(C(=O)CCC)CC2)cc1.
What is the InChIKey of 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is ZJVNKKLPACAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-5-7-16-8-10-17(11-9-16)19(23)21-14-12-20(13-15-21)18(22)6-4-2/h8-11H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one?
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 316.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110799985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).