1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride

C19H27Cl2N3O3 — CID 119794174

IUPAC1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(CN2CCCCC2=O)CC1.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-26-17-11-16(21)15(20)10-14(17)19(25)22-8-5-13(6-9-22)12-23-7-3-2-4-18(23)24;/h10-11,13H,2-9,12,21H2,1H3;1H
InChIKeyCKSIJVYCTJIKJZ-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.22
Rot. Bonds4

About 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride

1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride (PubChem CID 119794174) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
PubChem CID119794174
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(CN2CCCCC2=O)CC1.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-26-17-11-16(21)15(20)10-14(17)19(25)22-8-5-13(6-9-22)12-23-7-3-2-4-18(23)24;/h10-11,13H,2-9,12,21H2,1H3;1H
InChIKeyCKSIJVYCTJIKJZ-UHFFFAOYSA-N
XLogP3.22
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
CID 119780867
(4-amino-5-chloro-2-methoxyphenyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867680
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875833

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride (CID 119794174) is 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCC(CN2CCCCC2=O)CC1.Cl.
What is the InChIKey of 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The InChIKey is CKSIJVYCTJIKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3.ClH/c1-26-17-11-16(21)15(20)10-14(17)19(25)22-8-5-13(6-9-22)12-23-7-3-2-4-18(23)24;/h10-11,13H,2-9,12,21H2,1H3;1H.
What are the key properties of 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 119794174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).