(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

C18H24Cl2FN3O3 — CID 119756490

IUPAC(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCNCC1.Cl
InChIInChI=1S/C18H23ClFN3O3.ClH/c1-26-18(4-6-21-7-5-18)17(25)23-10-8-22(9-11-23)16(24)14-3-2-13(20)12-15(14)19;/h2-3,12,21H,4-11H2,1H3;1H
InChIKeyYBQPYYWTPUTPDB-UHFFFAOYSA-N
MW420.31 g/mol
LogP1.95
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119756490) has the molecular formula C18H24Cl2FN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119756490
Molecular FormulaC18H24Cl2FN3O3
Molecular Weight420.31 g/mol
Exact Mass419.12
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCNCC1.Cl
InChIInChI=1S/C18H23ClFN3O3.ClH/c1-26-18(4-6-21-7-5-18)17(25)23-10-8-22(9-11-23)16(24)14-3-2-13(20)12-15(14)19;/h2-3,12,21H,4-11H2,1H3;1H
InChIKeyYBQPYYWTPUTPDB-UHFFFAOYSA-N
XLogP1.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
(3-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119710592
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119888933
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119307828
(3-chlorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747867
(4-hydroxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 119730652
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
(2S)-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 94413455

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119756490) is (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is COC1(C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCNCC1.Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is YBQPYYWTPUTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O3.ClH/c1-26-18(4-6-21-7-5-18)17(25)23-10-8-22(9-11-23)16(24)14-3-2-13(20)12-15(14)19;/h2-3,12,21H,4-11H2,1H3;1H.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 420.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119756490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).