1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide

C13H25N5O2 — CID 67012430

IUPAC1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide
SMILESCCN1CCCC1CNC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C13H25N5O2/c1-2-17-6-3-4-10(17)8-16-13(20)18-7-5-15-11(9-18)12(14)19/h10-11,15H,2-9H2,1H3,(H2,14,19)(H,16,20)
InChIKeySHZDEDJXLOMFMO-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.06
Rot. Bonds4

About 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide

1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide (PubChem CID 67012430) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide
PubChem CID67012430
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide
SMILESCCN1CCCC1CNC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C13H25N5O2/c1-2-17-6-3-4-10(17)8-16-13(20)18-7-5-15-11(9-18)12(14)19/h10-11,15H,2-9H2,1H3,(H2,14,19)(H,16,20)
InChIKeySHZDEDJXLOMFMO-UHFFFAOYSA-N
XLogP-1.06
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide (CID 67012430) is 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide is CCN1CCCC1CNC(=O)N1CCNC(C(N)=O)C1.
What is the InChIKey of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide?
The InChIKey is SHZDEDJXLOMFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-2-17-6-3-4-10(17)8-16-13(20)18-7-5-15-11(9-18)12(14)19/h10-11,15H,2-9H2,1H3,(H2,14,19)(H,16,20).
What are the key properties of 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide?
1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide has a molecular weight of 283.38 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1,3-dicarboxamide is sourced from PubChem (CID 67012430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).