ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

C13H23N3O3 — CID 110854043

IUPACethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C13H23N3O3/c1-3-19-13(18)16-9-7-15(8-10-16)12(17)11-5-4-6-14(11)2/h11H,3-10H2,1-2H3
InChIKeyIJUMSTGNPYTPGV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.38
Rot. Bonds2

About ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 110854043) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
PubChem CID110854043
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C13H23N3O3/c1-3-19-13(18)16-9-7-15(8-10-16)12(17)11-5-4-6-14(11)2/h11H,3-10H2,1-2H3
InChIKeyIJUMSTGNPYTPGV-UHFFFAOYSA-N
XLogP0.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (CID 110854043) is ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCCN2C)CC1.
What is the InChIKey of ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is IJUMSTGNPYTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-19-13(18)16-9-7-15(8-10-16)12(17)11-5-4-6-14(11)2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110854043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).