methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate

C15H21N3O4 — CID 120996909

IUPACmethyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)o1
InChIInChI=1S/C15H21N3O4/c1-21-15(20)13-3-2-12(22-13)14(19)18-7-4-11(10-18)17-8-5-16-6-9-17/h2-3,11,16H,4-10H2,1H3
InChIKeyLFVOERRETBDECI-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.19
Rot. Bonds3

About methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate

methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate (PubChem CID 120996909) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
PubChem CID120996909
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)o1
InChIInChI=1S/C15H21N3O4/c1-21-15(20)13-3-2-12(22-13)14(19)18-7-4-11(10-18)17-8-5-16-6-9-17/h2-3,11,16H,4-10H2,1H3
InChIKeyLFVOERRETBDECI-UHFFFAOYSA-N
XLogP0.19
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997190
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propan-2-ylbenzamide;hydrochloride
CID 120995696
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
2,2-dimethyl-N-[[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]methyl]propanamide;hydrochloride
CID 120997636
(4-bromo-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994588
1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
[4-(2-methoxyethylsulfonyl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996500
[3-(methoxymethyl)thiophen-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994475
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate (CID 120996909) is methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)o1.
What is the InChIKey of methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate?
The InChIKey is LFVOERRETBDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-15(20)13-3-2-12(22-13)14(19)18-7-4-11(10-18)17-8-5-16-6-9-17/h2-3,11,16H,4-10H2,1H3.
What are the key properties of methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate?
methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate is sourced from PubChem (CID 120996909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).