N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide

C14H28N4O2 — CID 79182706

IUPACN-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1CC1CN(CC)CCO1
InChIInChI=1S/C14H28N4O2/c1-3-16-14(19)13-9-15-5-6-18(13)11-12-10-17(4-2)7-8-20-12/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyIGYORTPEETZSCL-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.88
Rot. Bonds5

About N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide

N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide (PubChem CID 79182706) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide
PubChem CID79182706
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1CC1CN(CC)CCO1
InChIInChI=1S/C14H28N4O2/c1-3-16-14(19)13-9-15-5-6-18(13)11-12-10-17(4-2)7-8-20-12/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyIGYORTPEETZSCL-UHFFFAOYSA-N
XLogP-0.88
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide (CID 79182706) is N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide is CCNC(=O)C1CNCCN1CC1CN(CC)CCO1.
What is the InChIKey of N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide?
The InChIKey is IGYORTPEETZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-16-14(19)13-9-15-5-6-18(13)11-12-10-17(4-2)7-8-20-12/h12-13,15H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide?
N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide has a molecular weight of 284.40 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 79182706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).