2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide

C17H27N3O — CID 139542607

IUPAC2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CN2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)15-6-4-14(5-7-15)12-19-8-10-20(11-9-19)13-16(18)21/h4-7H,8-13H2,1-3H3,(H2,18,21)
InChIKeyOMRBPEBBRLETSK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide

2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 139542607) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID139542607
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CN2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-17(2,3)15-6-4-14(5-7-15)12-19-8-10-20(11-9-19)13-16(18)21/h4-7H,8-13H2,1-3H3,(H2,18,21)
InChIKeyOMRBPEBBRLETSK-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336816
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
2-[4-[[4-(2-cyclohexa-1,5-dien-1-ylethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 139542624
2-[4-(carboxymethyl)-7-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 176864130
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
2-[4-[[4-(tert-butylamino)phenyl]methyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 166005439
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide (CID 139542607) is 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide is CC(C)(C)c1ccc(CN2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OMRBPEBBRLETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)15-6-4-14(5-7-15)12-19-8-10-20(11-9-19)13-16(18)21/h4-7H,8-13H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide?
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 139542607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).