N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide

C12H23N3O2 — CID 718529

IUPACN-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-11(16)13-5-6-14-7-9-15(10-8-14)12(17)4-2/h3-10H2,1-2H3,(H,13,16)
InChIKeyVTWWTAYPOKLMRD-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds5

About N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide

N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide (PubChem CID 718529) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
PubChem CID718529
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-11(16)13-5-6-14-7-9-15(10-8-14)12(17)4-2/h3-10H2,1-2H3,(H,13,16)
InChIKeyVTWWTAYPOKLMRD-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide (CID 718529) is N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide is CCC(=O)NCCN1CCN(C(=O)CC)CC1.
What is the InChIKey of N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is VTWWTAYPOKLMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-11(16)13-5-6-14-7-9-15(10-8-14)12(17)4-2/h3-10H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide?
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 718529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).