(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

C18H28Cl3N3O3 — CID 119875833

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC(CN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H26ClN3O3.2ClH/c1-24-17-10-16(20)15(19)9-14(17)18(23)22-4-2-3-13(12-22)11-21-5-7-25-8-6-21;;/h9-10,13H,2-8,11-12,20H2,1H3;2*1H
InChIKeyUWNPXXMMAQBVMH-UHFFFAOYSA-N
MW440.80 g/mol
LogP2.96
Rot. Bonds4

About (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119875833) has the molecular formula C18H28Cl3N3O3 and a molecular weight of 440.80 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119875833
Molecular FormulaC18H28Cl3N3O3
Molecular Weight440.80 g/mol
Exact Mass439.12
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC(CN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H26ClN3O3.2ClH/c1-24-17-10-16(20)15(19)9-14(17)18(23)22-4-2-3-13(12-22)11-21-5-7-25-8-6-21;;/h9-10,13H,2-8,11-12,20H2,1H3;2*1H
InChIKeyUWNPXXMMAQBVMH-UHFFFAOYSA-N
XLogP2.96
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867680
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
(4-amino-5-chloro-2-methoxyphenyl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119883779
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 119761665
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119875833) is (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCCC(CN2CCOCC2)C1.Cl.Cl.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is UWNPXXMMAQBVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3.2ClH/c1-24-17-10-16(20)15(19)9-14(17)18(23)22-4-2-3-13(12-22)11-21-5-7-25-8-6-21;;/h9-10,13H,2-8,11-12,20H2,1H3;2*1H.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 440.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119875833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).