(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C18H25ClN4O3 — CID 71779993

IUPAC(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-4-20-6-5-19-18(20)22-9-7-21(8-10-22)17(23)14-11-15(24-2)13-16(12-14)25-3;/h5-6,11-13H,4,7-10H2,1-3H3;1H
InChIKeyHCNQABPAHUQODX-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.30
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71779993) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71779993
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-4-20-6-5-19-18(20)22-9-7-21(8-10-22)17(23)14-11-15(24-2)13-16(12-14)25-3;/h5-6,11-13H,4,7-10H2,1-3H3;1H
InChIKeyHCNQABPAHUQODX-UHFFFAOYSA-N
XLogP2.30
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 71779994
(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779958
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951
(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702483
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 45284215
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
CID 113331263
(3,5-dimethoxyphenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645846

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 71779993) is (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is CCn1ccnc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.Cl.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is HCNQABPAHUQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-4-20-6-5-19-18(20)22-9-7-21(8-10-22)17(23)14-11-15(24-2)13-16(12-14)25-3;/h5-6,11-13H,4,7-10H2,1-3H3;1H.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71779993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).