N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide

C14H27N3O2 — CID 123324841

IUPACN-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide
SMILESCC(C)(C)NC(=O)C=CCN1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)5-4-6-16-7-9-17(10-8-16)11-12-18/h4-5,18H,6-12H2,1-3H3,(H,15,19)
InChIKeyWKTKFIQYCVSCDZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.07
Rot. Bonds5

About N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide

N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide (PubChem CID 123324841) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide
PubChem CID123324841
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide
SMILESCC(C)(C)NC(=O)C=CCN1CCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)5-4-6-16-7-9-17(10-8-16)11-12-18/h4-5,18H,6-12H2,1-3H3,(H,15,19)
InChIKeyWKTKFIQYCVSCDZ-UHFFFAOYSA-N
XLogP0.07
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide?
The IUPAC name of N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide (CID 123324841) is N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide.
What is the SMILES notation for N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide?
The canonical SMILES for N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide is CC(C)(C)NC(=O)C=CCN1CCN(CCO)CC1.
What is the InChIKey of N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide?
The InChIKey is WKTKFIQYCVSCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)15-13(19)5-4-6-16-7-9-17(10-8-16)11-12-18/h4-5,18H,6-12H2,1-3H3,(H,15,19).
What are the key properties of N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide?
N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide has a molecular weight of 269.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enamide is sourced from PubChem (CID 123324841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).