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

C14H25N5O — CID 90533948

IUPACN-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C14H25N5O/c1-3-15-14(20)12-18-8-6-17(7-9-18)10-11-19-5-4-16-13(19)2/h4-5H,3,6-12H2,1-2H3,(H,15,20)
InChIKeyAKERPAKMZFWXKO-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.05
Rot. Bonds6

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

N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90533948) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90533948
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C14H25N5O/c1-3-15-14(20)12-18-8-6-17(7-9-18)10-11-19-5-4-16-13(19)2/h4-5H,3,6-12H2,1-2H3,(H,15,20)
InChIKeyAKERPAKMZFWXKO-UHFFFAOYSA-N
XLogP-0.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
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
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90533948) is N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is AKERPAKMZFWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-15-14(20)12-18-8-6-17(7-9-18)10-11-19-5-4-16-13(19)2/h4-5H,3,6-12H2,1-2H3,(H,15,20).
What are the key properties of N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 279.39 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90533948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).