N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide

C24H31N3O3 — CID 8505748

IUPACN-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)25-22(28)17-26-13-15-27(16-14-26)23(29)18-30-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyHSTSVXCLXVBFOE-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.79
Rot. Bonds6

About N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 8505748) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID8505748
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-24(2,3)25-22(28)17-26-13-15-27(16-14-26)23(29)18-30-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)
InChIKeyHSTSVXCLXVBFOE-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)-1,4-diazepan-1-yl]acetamide
CID 9078788
N-tert-butyl-2-[4-[2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 9475282
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877421
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide
CID 24576501
2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanethioamide
CID 63336504
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide (CID 8505748) is N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HSTSVXCLXVBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-24(2,3)25-22(28)17-26-13-15-27(16-14-26)23(29)18-30-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8505748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).