phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate

C20H22N2O4 — CID 110365947

IUPACphenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-16-7-9-17(10-8-16)25-15-19(23)21-11-13-22(14-12-21)20(24)26-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyBHMNYKZXGIIIPA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds4

About phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate

phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate (PubChem CID 110365947) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
PubChem CID110365947
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namephenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O4/c1-16-7-9-17(10-8-16)25-15-19(23)21-11-13-22(14-12-21)20(24)26-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3
InChIKeyBHMNYKZXGIIIPA-UHFFFAOYSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-methyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 110346414
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate (CID 110365947) is phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate is Cc1ccc(OCC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1.
What is the InChIKey of phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate?
The InChIKey is BHMNYKZXGIIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-16-7-9-17(10-8-16)25-15-19(23)21-11-13-22(14-12-21)20(24)26-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3.
What are the key properties of phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate?
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).