methyl 1-propanoylpiperazine-2-carboxylate

C9H16N2O3 — CID 54380466

IUPACmethyl 1-propanoylpiperazine-2-carboxylate
SMILESCCC(=O)N1CCNCC1C(=O)OC
InChIInChI=1S/C9H16N2O3/c1-3-8(12)11-5-4-10-6-7(11)9(13)14-2/h7,10H,3-6H2,1-2H3
InChIKeyMRHHBQYJHXAMJL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds2

About methyl 1-propanoylpiperazine-2-carboxylate

methyl 1-propanoylpiperazine-2-carboxylate (PubChem CID 54380466) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 1-propanoylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-propanoylpiperazine-2-carboxylate
PubChem CID54380466
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 1-propanoylpiperazine-2-carboxylate
SMILESCCC(=O)N1CCNCC1C(=O)OC
InChIInChI=1S/C9H16N2O3/c1-3-8(12)11-5-4-10-6-7(11)9(13)14-2/h7,10H,3-6H2,1-2H3
InChIKeyMRHHBQYJHXAMJL-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-propanoylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-propanoylpiperazine-2-carboxylate (CID 54380466) is methyl 1-propanoylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-propanoylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-propanoylpiperazine-2-carboxylate is CCC(=O)N1CCNCC1C(=O)OC.
What is the InChIKey of methyl 1-propanoylpiperazine-2-carboxylate?
The InChIKey is MRHHBQYJHXAMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-8(12)11-5-4-10-6-7(11)9(13)14-2/h7,10H,3-6H2,1-2H3.
What are the key properties of methyl 1-propanoylpiperazine-2-carboxylate?
methyl 1-propanoylpiperazine-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propanoylpiperazine-2-carboxylate is sourced from PubChem (CID 54380466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).