2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

C19H24N2O4 — CID 120975159

IUPAC2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-2-13-3-5-14(6-4-13)17(22)20-9-11-21(12-10-20)18(23)15-7-8-16(15)19(24)25/h3-6,15-16H,2,7-12H2,1H3,(H,24,25)
InChIKeyWVMIHOSFXCTCKO-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120975159) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120975159
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)cc1
InChIInChI=1S/C19H24N2O4/c1-2-13-3-5-14(6-4-13)17(22)20-9-11-21(12-10-20)18(23)15-7-8-16(15)19(24)25/h3-6,15-16H,2,7-12H2,1H3,(H,24,25)
InChIKeyWVMIHOSFXCTCKO-UHFFFAOYSA-N
XLogP1.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55586130
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
trans-(1R,2R)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722438
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55591893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120975159) is 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is CCc1ccc(C(=O)N2CCN(C(=O)C3CCC3C(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is WVMIHOSFXCTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-13-3-5-14(6-4-13)17(22)20-9-11-21(12-10-20)18(23)15-7-8-16(15)19(24)25/h3-6,15-16H,2,7-12H2,1H3,(H,24,25).
What are the key properties of 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).