(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

C18H24ClF2N3O3 — CID 119756702

IUPAC(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCNCC1.Cl
InChIInChI=1S/C18H23F2N3O3.ClH/c1-26-18(5-7-21-8-6-18)17(25)23-11-9-22(10-12-23)16(24)15-13(19)3-2-4-14(15)20;/h2-4,21H,5-12H2,1H3;1H
InChIKeyDMHXRZPYHOLZDZ-UHFFFAOYSA-N
MW403.86 g/mol
LogP1.44
Rot. Bonds3

About (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119756702) has the molecular formula C18H24ClF2N3O3 and a molecular weight of 403.86 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119756702
Molecular FormulaC18H24ClF2N3O3
Molecular Weight403.86 g/mol
Exact Mass403.15
IUPAC Name(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCNCC1.Cl
InChIInChI=1S/C18H23F2N3O3.ClH/c1-26-18(5-7-21-8-6-18)17(25)23-11-9-22(10-12-23)16(24)15-13(19)3-2-4-14(15)20;/h2-4,21H,5-12H2,1H3;1H
InChIKeyDMHXRZPYHOLZDZ-UHFFFAOYSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119710592
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756490
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119877616

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119756702) is (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is COC1(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCNCC1.Cl.
What is the InChIKey of (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is DMHXRZPYHOLZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3.ClH/c1-26-18(5-7-21-8-6-18)17(25)23-11-9-22(10-12-23)16(24)15-13(19)3-2-4-14(15)20;/h2-4,21H,5-12H2,1H3;1H.
What are the key properties of (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 403.86 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119756702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).