2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C16H29N5O — CID 129332688

IUPAC2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(CC)[C@@H](c2nccn2C)C1
InChIInChI=1S/C16H29N5O/c1-5-19(6-2)13-15(22)21-11-10-20(7-3)14(12-21)16-17-8-9-18(16)4/h8-9,14H,5-7,10-13H2,1-4H3/t14-/m1/s1
InChIKeyLEBHYWBDNUVYDC-CQSZACIVSA-N
MW307.44 g/mol
LogP0.97
Rot. Bonds6

About 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 129332688) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID129332688
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(CC)[C@@H](c2nccn2C)C1
InChIInChI=1S/C16H29N5O/c1-5-19(6-2)13-15(22)21-11-10-20(7-3)14(12-21)16-17-8-9-18(16)4/h8-9,14H,5-7,10-13H2,1-4H3/t14-/m1/s1
InChIKeyLEBHYWBDNUVYDC-CQSZACIVSA-N
XLogP0.97
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.97
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-(1-methylpyrazol-4-yl)ethanone
CID 128994525
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 129335910
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
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129339745
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[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]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
1-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 129330947

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 129332688) is 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is CCN(CC)CC(=O)N1CCN(CC)[C@@H](c2nccn2C)C1.
What is the InChIKey of 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is LEBHYWBDNUVYDC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-19(6-2)13-15(22)21-11-10-20(7-3)14(12-21)16-17-8-9-18(16)4/h8-9,14H,5-7,10-13H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 307.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).