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

C20H30ClN3O5 — CID 119710205

IUPAC(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl
InChIInChI=1S/C20H29N3O5.ClH/c1-26-16-12-15(13-17(14-16)27-2)18(24)22-8-10-23(11-9-22)19(25)20(28-3)4-6-21-7-5-20;/h12-14,21H,4-11H2,1-3H3;1H
InChIKeyGVNHYVJHXBMUFK-UHFFFAOYSA-N
MW427.93 g/mol
LogP1.18
Rot. Bonds5

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

(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119710205) has the molecular formula C20H30ClN3O5 and a molecular weight of 427.93 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119710205
Molecular FormulaC20H30ClN3O5
Molecular Weight427.93 g/mol
Exact Mass427.19
IUPAC Name(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl
InChIInChI=1S/C20H29N3O5.ClH/c1-26-16-12-15(13-17(14-16)27-2)18(24)22-8-10-23(11-9-22)19(25)20(28-3)4-6-21-7-5-20;/h12-14,21H,4-11H2,1-3H3;1H
InChIKeyGVNHYVJHXBMUFK-UHFFFAOYSA-N
XLogP1.18
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756490
(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119710592
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119877616
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119710205) is (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is COc1cc(OC)cc(C(=O)N2CCN(C(=O)C3(OC)CCNCC3)CC2)c1.Cl.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is GVNHYVJHXBMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5.ClH/c1-26-16-12-15(13-17(14-16)27-2)18(24)22-8-10-23(11-9-22)19(25)20(28-3)4-6-21-7-5-20;/h12-14,21H,4-11H2,1-3H3;1H.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119710205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).