methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate

C12H20N2O3 — CID 42892356

IUPACmethyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3
InChIKeyYGQWOCJXBWBNKP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds2

About methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate

methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 42892356) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate
PubChem CID42892356
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3
InChIKeyYGQWOCJXBWBNKP-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate (CID 42892356) is methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is YGQWOCJXBWBNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyrrolidine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 42892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).