methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate

C14H25N3O3 — CID 61176470

IUPACmethyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-11(10-13(18)20-2)17-7-3-4-12(17)14(19)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3
InChIKeyNMFFWDGAJCIPNB-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.17
Rot. Bonds4

About methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate

methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate (PubChem CID 61176470) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate
PubChem CID61176470
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-11(10-13(18)20-2)17-7-3-4-12(17)14(19)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3
InChIKeyNMFFWDGAJCIPNB-UHFFFAOYSA-N
XLogP-0.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate?
The IUPAC name of methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate (CID 61176470) is methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate.
What is the SMILES notation for methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate?
The canonical SMILES for methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate is COC(=O)CC(C)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate?
The InChIKey is NMFFWDGAJCIPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(10-13(18)20-2)17-7-3-4-12(17)14(19)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate?
methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate has a molecular weight of 283.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butanoate is sourced from PubChem (CID 61176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).