N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide

C17H27N3O — CID 54773454

IUPACN-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20(13-15-7-5-4-6-8-15)16(21)14-19-11-9-18-10-12-19/h4-8,18H,9-14H2,1-3H3
InChIKeyXHPIPKSLXDQHNP-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.72
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide

N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide (PubChem CID 54773454) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
PubChem CID54773454
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20(13-15-7-5-4-6-8-15)16(21)14-19-11-9-18-10-12-19/h4-8,18H,9-14H2,1-3H3
InChIKeyXHPIPKSLXDQHNP-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682307
N-benzyl-N-tert-butyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 33079907
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-benzyl-N-tert-butylacetamide
CID 31988858
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 78900758
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8963237
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
CID 52731675
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide (CID 54773454) is N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCNCC1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide?
The InChIKey is XHPIPKSLXDQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)20(13-15-7-5-4-6-8-15)16(21)14-19-11-9-18-10-12-19/h4-8,18H,9-14H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide?
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54773454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).