N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide

C13H22N4O2 — CID 36892657

IUPACN-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
SMILESC#CCNC(=O)CN1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-5-15-13(19)11-17-8-6-16(7-9-17)10-12(18)14-4-2/h1H,4-11H2,2H3,(H,14,18)(H,15,19)
InChIKeyBXSPOHSBPGCNMX-UHFFFAOYSA-N
MW266.34 g/mol
LogP-1.51
Rot. Bonds6

About N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 36892657) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID36892657
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
SMILESC#CCNC(=O)CN1CCN(CC(=O)NCC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-5-15-13(19)11-17-8-6-16(7-9-17)10-12(18)14-4-2/h1H,4-11H2,2H3,(H,14,18)(H,15,19)
InChIKeyBXSPOHSBPGCNMX-UHFFFAOYSA-N
XLogP-1.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide (CID 36892657) is N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide is C#CCNC(=O)CN1CCN(CC(=O)NCC)CC1.
What is the InChIKey of N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is BXSPOHSBPGCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-15-13(19)11-17-8-6-16(7-9-17)10-12(18)14-4-2/h1H,4-11H2,2H3,(H,14,18)(H,15,19).
What are the key properties of N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 266.34 g/mol, XLogP of -1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36892657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).