phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate

C15H21N3O3 — CID 60651374

IUPACphenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCN(C)C(=O)CN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-16(2)14(19)12-17-8-10-18(11-9-17)15(20)21-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyPPMZGTLXSOZBTQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.89
Rot. Bonds3

About phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate

phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 60651374) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID60651374
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namephenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCN(C)C(=O)CN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c1-16(2)14(19)12-17-8-10-18(11-9-17)15(20)21-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyPPMZGTLXSOZBTQ-UHFFFAOYSA-N
XLogP0.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate (CID 60651374) is phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate is CN(C)C(=O)CN1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is PPMZGTLXSOZBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16(2)14(19)12-17-8-10-18(11-9-17)15(20)21-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate?
phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 60651374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).