1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one

C17H30N4O — CID 42111025

IUPAC1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2nccn2CC)CC1
InChIInChI=1S/C17H30N4O/c1-4-7-15(8-5-2)16(22)20-11-13-21(14-12-20)17-18-9-10-19(17)6-3/h9-10,15H,4-8,11-14H2,1-3H3
InChIKeyPVLCZSPFHNBKRS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.77
Rot. Bonds7

About 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one (PubChem CID 42111025) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
PubChem CID42111025
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2nccn2CC)CC1
InChIInChI=1S/C17H30N4O/c1-4-7-15(8-5-2)16(22)20-11-13-21(14-12-20)17-18-9-10-19(17)6-3/h9-10,15H,4-8,11-14H2,1-3H3
InChIKeyPVLCZSPFHNBKRS-UHFFFAOYSA-N
XLogP2.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 45284215
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 45284187
(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779993
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 7292465
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 71779994
methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
CID 113331263
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
CID 116574576

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one (CID 42111025) is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCN(c2nccn2CC)CC1.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one?
The InChIKey is PVLCZSPFHNBKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-7-15(8-5-2)16(22)20-11-13-21(14-12-20)17-18-9-10-19(17)6-3/h9-10,15H,4-8,11-14H2,1-3H3.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one?
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one has a molecular weight of 306.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 42111025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).