[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

C13H25N3O2 — CID 119843367

IUPAC[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCCOCCN1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-10-9-15-5-7-16(8-6-15)13(17)12-3-4-14-11-12/h12,14H,2-11H2,1H3
InChIKeyJOTLTUADHKYWNU-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.22
Rot. Bonds5

About [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119843367) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119843367
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCCOCCN1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C13H25N3O2/c1-2-18-10-9-15-5-7-16(8-6-15)13(17)12-3-4-14-11-12/h12,14H,2-11H2,1H3
InChIKeyJOTLTUADHKYWNU-UHFFFAOYSA-N
XLogP-0.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

4-(Aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45791025
2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2165494
N-[3-(Morpholin-4-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 13594968
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661
2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 2053583
rac-4-[(3R,4R)-4-methylpyrrolidine-3-carbonyl]morpholine hydrochloride
CID 119031893
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(2-morpholin-4-ylacetyl)pyrrolidine-3-carboxamide
CID 124052102
1-(2-methoxyethyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 53524501
1-[3-[4-(2-Ethoxyethyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 53595143
4-[(3S,4S)-4-methylpyrrolidine-3-carbonyl]morpholine
CID 105571446
Morpholinomethyl-succinimid
CID 129638505
3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 134847418

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (CID 119843367) is [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is CCOCCN1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is JOTLTUADHKYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-18-10-9-15-5-7-16(8-6-15)13(17)12-3-4-14-11-12/h12,14H,2-11H2,1H3.
What are the key properties of [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 255.36 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119843367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).