ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate

C16H22N2O3 — CID 892301

IUPACethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFGMMBSBCVOIRKG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.92
Rot. Bonds4

About ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate

ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate (PubChem CID 892301) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
PubChem CID892301
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFGMMBSBCVOIRKG-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate (CID 892301) is ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate?
The InChIKey is FGMMBSBCVOIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)18-12-10-17(11-13-18)15(19)9-8-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 892301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).