phenyl 4-propanoylpiperazine-1-carboxylate

C14H18N2O3 — CID 46228295

IUPACphenyl 4-propanoylpiperazine-1-carboxylate
SMILESCCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-13(17)15-8-10-16(11-9-15)14(18)19-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyJXAMBMHEUYRBRR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.74
Rot. Bonds2

About phenyl 4-propanoylpiperazine-1-carboxylate

phenyl 4-propanoylpiperazine-1-carboxylate (PubChem CID 46228295) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenyl 4-propanoylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-propanoylpiperazine-1-carboxylate
PubChem CID46228295
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namephenyl 4-propanoylpiperazine-1-carboxylate
SMILESCCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-2-13(17)15-8-10-16(11-9-15)14(18)19-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyJXAMBMHEUYRBRR-UHFFFAOYSA-N
XLogP1.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
CID 110603452
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
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phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-(2-benzamidoacetyl)piperazine-1-carboxylate
CID 110803551
phenyl 4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxylate
CID 110803602
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799885
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252432
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871

Frequently Asked Questions

What is the IUPAC name of phenyl 4-propanoylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-propanoylpiperazine-1-carboxylate (CID 46228295) is phenyl 4-propanoylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-propanoylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-propanoylpiperazine-1-carboxylate is CCC(=O)N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-propanoylpiperazine-1-carboxylate?
The InChIKey is JXAMBMHEUYRBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-13(17)15-8-10-16(11-9-15)14(18)19-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of phenyl 4-propanoylpiperazine-1-carboxylate?
phenyl 4-propanoylpiperazine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-propanoylpiperazine-1-carboxylate is sourced from PubChem (CID 46228295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).