methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate

C17H24N2O4 — CID 108568845

IUPACmethyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-3-4-14-5-7-15(8-6-14)23-13-16(20)18-9-11-19(12-10-18)17(21)22-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyQIKMWRFLNOECEX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.93
Rot. Bonds5

About methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate

methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 108568845) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
PubChem CID108568845
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCCCc1ccc(OCC(=O)N2CCN(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-3-4-14-5-7-15(8-6-14)23-13-16(20)18-9-11-19(12-10-18)17(21)22-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyQIKMWRFLNOECEX-UHFFFAOYSA-N
XLogP1.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535906
3-chloro-2,2-dimethyl-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108568838
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-propylphenoxy)ethanone
CID 108544009
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535900

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate (CID 108568845) is methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate is CCCc1ccc(OCC(=O)N2CCN(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is QIKMWRFLNOECEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-4-14-5-7-15(8-6-14)23-13-16(20)18-9-11-19(12-10-18)17(21)22-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate?
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 108568845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).