N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide

C13H26N4O2 — CID 62834367

IUPACN-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
SMILESCCNCCC(=O)N1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C13H26N4O2/c1-3-14-6-5-13(19)17-9-7-16(8-10-17)11-12(18)15-4-2/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyBYIXRQVAGKMMKM-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.73
Rot. Bonds7

About N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide (PubChem CID 62834367) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
PubChem CID62834367
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
SMILESCCNCCC(=O)N1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C13H26N4O2/c1-3-14-6-5-13(19)17-9-7-16(8-10-17)11-12(18)15-4-2/h14H,3-11H2,1-2H3,(H,15,18)
InChIKeyBYIXRQVAGKMMKM-UHFFFAOYSA-N
XLogP-0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.73
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-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
CID 78924430
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477
3-(ethylamino)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 62831735
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide (CID 62834367) is N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide is CCNCCC(=O)N1CCN(CC(=O)NCC)CC1.
What is the InChIKey of N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is BYIXRQVAGKMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-14-6-5-13(19)17-9-7-16(8-10-17)11-12(18)15-4-2/h14H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 270.38 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 62834367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).