tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate

C19H28N2O3 — CID 52755296

IUPACtert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
SMILESCCCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-5-6-15-7-9-16(10-8-15)17(22)20-11-13-21(14-12-20)18(23)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3
InChIKeyQJSUVKRONVQAGJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.33
Rot. Bonds3

About tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate

tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate (PubChem CID 52755296) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
PubChem CID52755296
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate
SMILESCCCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-5-6-15-7-9-16(10-8-15)17(22)20-11-13-21(14-12-20)18(23)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3
InChIKeyQJSUVKRONVQAGJ-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]propanoic acid
CID 21345433
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]benzenesulfonic acid
CID 171488527
tert-butyl 4-(4-aminobenzoyl)piperazine-1-carboxylate;propylphosphonic acid
CID 158541426
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
dimethyl (Z)-2-[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]butyl]but-2-enedioate
CID 174673224
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
tert-butyl 4-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperazine-1-carboxylate
CID 46492559
[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-1-carbonyl]phenoxy]boronic acid
CID 142768019
tert-butyl 4-[3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate
CID 127118642
ethane;4-propylbenzoic acid
CID 91047964
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate (CID 52755296) is tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate is CCCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate?
The InChIKey is QJSUVKRONVQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-6-15-7-9-16(10-8-15)17(22)20-11-13-21(14-12-20)18(23)24-19(2,3)4/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate?
tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 52755296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).