2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide

C20H31N3O3 — CID 78801387

IUPAC2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-15(26-17-8-6-16(7-9-17)20(2,3)4)19(25)23-12-10-22(11-13-23)14-18(24)21-5/h6-9,15H,10-14H2,1-5H3,(H,21,24)
InChIKeyGOCSWXKUPOEQFQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.64
Rot. Bonds5

About 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 78801387) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
PubChem CID78801387
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-15(26-17-8-6-16(7-9-17)20(2,3)4)19(25)23-12-10-22(11-13-23)14-18(24)21-5/h6-9,15H,10-14H2,1-5H3,(H,21,24)
InChIKeyGOCSWXKUPOEQFQ-UHFFFAOYSA-N
XLogP1.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 55505681
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
N-(2,6-dimethylphenyl)-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 46407772
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
CID 51331914
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119177809
4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55493812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide (CID 78801387) is 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is GOCSWXKUPOEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(26-17-8-6-16(7-9-17)20(2,3)4)19(25)23-12-10-22(11-13-23)14-18(24)21-5/h6-9,15H,10-14H2,1-5H3,(H,21,24).
What are the key properties of 2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 361.49 g/mol, XLogP of 1.64, 5 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)propanoyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78801387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).