2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide

C19H28N6O — CID 90561328

IUPAC2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESCC(C)c1nccn1CCN1CCN(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C19H28N6O/c1-16(2)19-21-6-7-25(19)13-12-23-8-10-24(11-9-23)15-18(26)22-17-4-3-5-20-14-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)
InChIKeyOMEZQSKKGUBMEL-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.66
Rot. Bonds7

About 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide

2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 90561328) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID90561328
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESCC(C)c1nccn1CCN1CCN(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C19H28N6O/c1-16(2)19-21-6-7-25(19)13-12-23-8-10-24(11-9-23)15-18(26)22-17-4-3-5-20-14-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)
InChIKeyOMEZQSKKGUBMEL-UHFFFAOYSA-N
XLogP1.66
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90560854
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90561223
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561290

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide (CID 90561328) is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide is CC(C)c1nccn1CCN1CCN(CC(=O)Nc2cccnc2)CC1.
What is the InChIKey of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is OMEZQSKKGUBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-16(2)19-21-6-7-25(19)13-12-23-8-10-24(11-9-23)15-18(26)22-17-4-3-5-20-14-17/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 356.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 90561328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).