2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide

C21H31N3O3 — CID 31426677

IUPAC2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-21(2,3)16-4-8-18(9-5-16)27-15-20(26)24-12-10-23(11-13-24)14-19(25)22-17-6-7-17/h4-5,8-9,17H,6-7,10-15H2,1-3H3,(H,22,25)
InChIKeyPEUDPQHYNCPROK-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 31426677) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID31426677
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-21(2,3)16-4-8-18(9-5-16)27-15-20(26)24-12-10-23(11-13-24)14-19(25)22-17-6-7-17/h4-5,8-9,17H,6-7,10-15H2,1-3H3,(H,22,25)
InChIKeyPEUDPQHYNCPROK-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084
N-cyclopropyl-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221112
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
N-cyclopropyl-2-[4-[2-[4-(4-methylphenoxy)phenoxy]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 55800006
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 31426677) is 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide is CC(C)(C)c1ccc(OCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is PEUDPQHYNCPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-21(2,3)16-4-8-18(9-5-16)27-15-20(26)24-12-10-23(11-13-24)14-19(25)22-17-6-7-17/h4-5,8-9,17H,6-7,10-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 373.50 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 31426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).