N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

C12H25N3O2 — CID 80548764

IUPACN-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCOCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-4-17-10-7-14-11(16)12(2,3)15-8-5-13-6-9-15/h13H,4-10H2,1-3H3,(H,14,16)
InChIKeySHFVELPAMJIEAX-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds6

About N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548764) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548764
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCOCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-4-17-10-7-14-11(16)12(2,3)15-8-5-13-6-9-15/h13H,4-10H2,1-3H3,(H,14,16)
InChIKeySHFVELPAMJIEAX-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547271
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548764) is N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is CCOCCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is SHFVELPAMJIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-17-10-7-14-11(16)12(2,3)15-8-5-13-6-9-15/h13H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).