2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one

C16H29N5O — CID 120880014

IUPAC2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCNCC1c1nccn1C)N(CC)CC
InChIInChI=1S/C16H29N5O/c1-5-13(20(6-2)7-3)16(22)21-11-8-17-12-14(21)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyHSAOVVHGQBHXME-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.01
Rot. Bonds6

About 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one

2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 120880014) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one
PubChem CID120880014
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCNCC1c1nccn1C)N(CC)CC
InChIInChI=1S/C16H29N5O/c1-5-13(20(6-2)7-3)16(22)21-11-8-17-12-14(21)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyHSAOVVHGQBHXME-UHFFFAOYSA-N
XLogP1.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
N-ethyl-4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 120877541
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one (CID 120880014) is 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCNCC1c1nccn1C)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is HSAOVVHGQBHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-13(20(6-2)7-3)16(22)21-11-8-17-12-14(21)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one?
2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 307.44 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 120880014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).