2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

C21H31N5O — CID 167847885

IUPAC2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCCN1CCN(CC(=O)N(C)C(C)c2ccccc2)CC1c1nccn1C
InChIInChI=1S/C21H31N5O/c1-5-26-14-13-25(15-19(26)21-22-11-12-23(21)3)16-20(27)24(4)17(2)18-9-7-6-8-10-18/h6-12,17,19H,5,13-16H2,1-4H3
InChIKeyCBNCAWUUEKHOTM-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide

2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 167847885) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID167847885
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCCN1CCN(CC(=O)N(C)C(C)c2ccccc2)CC1c1nccn1C
InChIInChI=1S/C21H31N5O/c1-5-26-14-13-25(15-19(26)21-22-11-12-23(21)3)16-20(27)24(4)17(2)18-9-7-6-8-10-18/h6-12,17,19H,5,13-16H2,1-4H3
InChIKeyCBNCAWUUEKHOTM-UHFFFAOYSA-N
XLogP2.32
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 129007004
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide (CID 167847885) is 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is CCN1CCN(CC(=O)N(C)C(C)c2ccccc2)CC1c1nccn1C.
What is the InChIKey of 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is CBNCAWUUEKHOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-5-26-14-13-25(15-19(26)21-22-11-12-23(21)3)16-20(27)24(4)17(2)18-9-7-6-8-10-18/h6-12,17,19H,5,13-16H2,1-4H3.
What are the key properties of 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 167847885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).