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

C16H25Cl2N3O4S — CID 119780867

IUPACN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-4-20(25(3,22)23)11-5-7-19(8-6-11)16(21)12-9-13(17)14(18)10-15(12)24-2;/h9-11H,4-8,18H2,1-3H3;1H
InChIKeyUQJINWKCDVIALY-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.24
Rot. Bonds5

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

N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride (PubChem CID 119780867) has the molecular formula C16H25Cl2N3O4S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
PubChem CID119780867
Molecular FormulaC16H25Cl2N3O4S
Molecular Weight426.37 g/mol
Exact Mass425.09
IUPAC NameN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-4-20(25(3,22)23)11-5-7-19(8-6-11)16(21)12-9-13(17)14(18)10-15(12)24-2;/h9-11H,4-8,18H2,1-3H3;1H
InChIKeyUQJINWKCDVIALY-UHFFFAOYSA-N
XLogP2.24
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
(4-amino-5-chloro-2-methoxyphenyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896799
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794174
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride (CID 119780867) is N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride is CCN(C1CCN(C(=O)c2cc(Cl)c(N)cc2OC)CC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The InChIKey is UQJINWKCDVIALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S.ClH/c1-4-20(25(3,22)23)11-5-7-19(8-6-11)16(21)12-9-13(17)14(18)10-15(12)24-2;/h9-11H,4-8,18H2,1-3H3;1H.
What are the key properties of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride has a molecular weight of 426.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119780867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).