(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C16H21ClN4O2 — CID 71779958

IUPAC(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-18-7-6-17-16(18)20-10-8-19(9-11-20)15(21)13-4-3-5-14(12-13)22-2;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyBPVYBZHYPVSWTD-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.81
Rot. Bonds3

About (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71779958) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71779958
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-18-7-6-17-16(18)20-10-8-19(9-11-20)15(21)13-4-3-5-14(12-13)22-2;/h3-7,12H,8-11H2,1-2H3;1H
InChIKeyBPVYBZHYPVSWTD-UHFFFAOYSA-N
XLogP1.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779967
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779993
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
CID 71779972
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91890475
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 71779958) is (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is COc1cccc(C(=O)N2CCN(c3nccn3C)CC2)c1.Cl.
What is the InChIKey of (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is BPVYBZHYPVSWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-18-7-6-17-16(18)20-10-8-19(9-11-20)15(21)13-4-3-5-14(12-13)22-2;/h3-7,12H,8-11H2,1-2H3;1H.
What are the key properties of (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71779958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).