N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide

C13H26N4O2 — CID 80548617

IUPACN-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCCNC(=O)CN(C)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-5-15-11(18)10-16(4)12(19)13(2,3)17-8-6-14-7-9-17/h14H,5-10H2,1-4H3,(H,15,18)
InChIKeyQPRWLYPOASYETJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.74
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80548617) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80548617
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCCNC(=O)CN(C)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-5-15-11(18)10-16(4)12(19)13(2,3)17-8-6-14-7-9-17/h14H,5-10H2,1-4H3,(H,15,18)
InChIKeyQPRWLYPOASYETJ-UHFFFAOYSA-N
XLogP-0.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80548617) is N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide is CCNC(=O)CN(C)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is QPRWLYPOASYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-5-15-11(18)10-16(4)12(19)13(2,3)17-8-6-14-7-9-17/h14H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 270.38 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).