2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide

C15H27N5O — CID 90533937

IUPAC2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C15H27N5O/c1-3-4-17-15(21)13-19-9-7-18(8-10-19)11-12-20-6-5-16-14(20)2/h5-6H,3-4,7-13H2,1-2H3,(H,17,21)
InChIKeyYHZQFCMCIXEFJK-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.34
Rot. Bonds7

About 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 90533937) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
PubChem CID90533937
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C15H27N5O/c1-3-4-17-15(21)13-19-9-7-18(8-10-19)11-12-20-6-5-16-14(20)2/h5-6H,3-4,7-13H2,1-2H3,(H,17,21)
InChIKeyYHZQFCMCIXEFJK-UHFFFAOYSA-N
XLogP0.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 62222646
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide (CID 90533937) is 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is YHZQFCMCIXEFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-4-17-15(21)13-19-9-7-18(8-10-19)11-12-20-6-5-16-14(20)2/h5-6H,3-4,7-13H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 293.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 90533937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).