3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide

C12H25N5O2 — CID 172714521

IUPAC3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide
SMILESCCN(CC)CCNC(=O)C1CN(C(N)=O)CCN1
InChIInChI=1S/C12H25N5O2/c1-3-16(4-2)7-5-15-11(18)10-9-17(12(13)19)8-6-14-10/h10,14H,3-9H2,1-2H3,(H2,13,19)(H,15,18)
InChIKeyFRLMEYRZRQWJFT-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.20
Rot. Bonds6

About 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide

3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide (PubChem CID 172714521) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide
PubChem CID172714521
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide
SMILESCCN(CC)CCNC(=O)C1CN(C(N)=O)CCN1
InChIInChI=1S/C12H25N5O2/c1-3-16(4-2)7-5-15-11(18)10-9-17(12(13)19)8-6-14-10/h10,14H,3-9H2,1-2H3,(H2,13,19)(H,15,18)
InChIKeyFRLMEYRZRQWJFT-UHFFFAOYSA-N
XLogP-1.20
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide (CID 172714521) is 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide is CCN(CC)CCNC(=O)C1CN(C(N)=O)CCN1.
What is the InChIKey of 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide?
The InChIKey is FRLMEYRZRQWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-3-16(4-2)7-5-15-11(18)10-9-17(12(13)19)8-6-14-10/h10,14H,3-9H2,1-2H3,(H2,13,19)(H,15,18).
What are the key properties of 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide?
3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide has a molecular weight of 271.36 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide is sourced from PubChem (CID 172714521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).