N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide

C13H27N3O2 — CID 114496531

IUPACN-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1CC(O)(CC)CC
InChIInChI=1S/C13H27N3O2/c1-4-13(18,5-2)10-16-8-7-14-9-11(16)12(17)15-6-3/h11,14,18H,4-10H2,1-3H3,(H,15,17)
InChIKeyQSAJAWZFOHGSGT-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.05
Rot. Bonds6

About N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide

N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide (PubChem CID 114496531) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
PubChem CID114496531
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1CC(O)(CC)CC
InChIInChI=1S/C13H27N3O2/c1-4-13(18,5-2)10-16-8-7-14-9-11(16)12(17)15-6-3/h11,14,18H,4-10H2,1-3H3,(H,15,17)
InChIKeyQSAJAWZFOHGSGT-UHFFFAOYSA-N
XLogP-0.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide (CID 114496531) is N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1CC(O)(CC)CC.
What is the InChIKey of N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide?
The InChIKey is QSAJAWZFOHGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-13(18,5-2)10-16-8-7-14-9-11(16)12(17)15-6-3/h11,14,18H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide?
N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide is sourced from PubChem (CID 114496531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).