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

C13H27N3O2 — CID 63691474

IUPACN-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
SMILESCCOCCN(CC)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-4-15(10-11-18-5-2)13(17)12(3)16-8-6-14-7-9-16/h12,14H,4-11H2,1-3H3
InChIKeyKVQMUQSFUNZKBU-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.17
Rot. Bonds7

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

N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide (PubChem CID 63691474) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
PubChem CID63691474
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
SMILESCCOCCN(CC)C(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-4-15(10-11-18-5-2)13(17)12(3)16-8-6-14-7-9-16/h12,14H,4-11H2,1-3H3
InChIKeyKVQMUQSFUNZKBU-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
2-(azetidin-3-yl)-N-(2-ethoxyethyl)-N-ethylpropanamide
CID 116677912
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
CID 61442974
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 54995362

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide (CID 63691474) is N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide is CCOCCN(CC)C(=O)C(C)N1CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide?
The InChIKey is KVQMUQSFUNZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-15(10-11-18-5-2)13(17)12(3)16-8-6-14-7-9-16/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide?
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 63691474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).