N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide

C16H31N3O — CID 168727073

IUPACN-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CC(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-5-18-6-8-19(9-7-18)12-15(20)17-14-10-13(11-14)16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,20)
InChIKeyMNIBNKDMONYSLP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds4

About N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 168727073) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID168727073
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CC(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-5-18-6-8-19(9-7-18)12-15(20)17-14-10-13(11-14)16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,20)
InChIKeyMNIBNKDMONYSLP-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 168727073) is N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC2CC(C(C)(C)C)C2)CC1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is MNIBNKDMONYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-18-6-8-19(9-7-18)12-15(20)17-14-10-13(11-14)16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,20).
What are the key properties of N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 168727073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).