N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide

C9H19N3O — CID 87904721

IUPACN-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide
SMILESCC1CN(CCNC=O)CC(C)N1
InChIInChI=1S/C9H19N3O/c1-8-5-12(4-3-10-7-13)6-9(2)11-8/h7-9,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyZOVVVRATZQKUJQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.59
Rot. Bonds4

About N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide

N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide (PubChem CID 87904721) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide
PubChem CID87904721
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide
SMILESCC1CN(CCNC=O)CC(C)N1
InChIInChI=1S/C9H19N3O/c1-8-5-12(4-3-10-7-13)6-9(2)11-8/h7-9,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyZOVVVRATZQKUJQ-UHFFFAOYSA-N
XLogP-0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide (CID 87904721) is N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide is CC1CN(CCNC=O)CC(C)N1.
What is the InChIKey of N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide?
The InChIKey is ZOVVVRATZQKUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8-5-12(4-3-10-7-13)6-9(2)11-8/h7-9,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide?
N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide has a molecular weight of 185.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 87904721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).