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

C13H27N3O2 — CID 60677456

IUPACN-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O2/c1-11(12(18)14-13(2,3)4)16-7-5-15(6-8-16)9-10-17/h11,17H,5-10H2,1-4H3,(H,14,18)
InChIKeyHAZSNXJMUPCHSH-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds4

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

N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 60677456) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID60677456
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O2/c1-11(12(18)14-13(2,3)4)16-7-5-15(6-8-16)9-10-17/h11,17H,5-10H2,1-4H3,(H,14,18)
InChIKeyHAZSNXJMUPCHSH-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 60677456) is N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is CC(C(=O)NC(C)(C)C)N1CCN(CCO)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is HAZSNXJMUPCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(12(18)14-13(2,3)4)16-7-5-15(6-8-16)9-10-17/h11,17H,5-10H2,1-4H3,(H,14,18).
What are the key properties of N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60677456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).