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

C20H23Cl2N3O3 — CID 119698241

IUPACN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H22ClN3O3.ClH/c1-27-18-12-17(22)16(21)11-15(18)20(26)24-9-7-14(8-10-24)23-19(25)13-5-3-2-4-6-13;/h2-6,11-12,14H,7-10,22H2,1H3,(H,23,25);1H
InChIKeyDQURPJOTYMJXEP-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.39
Rot. Bonds4

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

N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119698241) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119698241
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC NameN-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H22ClN3O3.ClH/c1-27-18-12-17(22)16(21)11-15(18)20(26)24-9-7-14(8-10-24)23-19(25)13-5-3-2-4-6-13;/h2-6,11-12,14H,7-10,22H2,1H3,(H,23,25);1H
InChIKeyDQURPJOTYMJXEP-UHFFFAOYSA-N
XLogP3.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
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-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119897004
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
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
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 119745251

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119698241) is N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is DQURPJOTYMJXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3.ClH/c1-27-18-12-17(22)16(21)11-15(18)20(26)24-9-7-14(8-10-24)23-19(25)13-5-3-2-4-6-13;/h2-6,11-12,14H,7-10,22H2,1H3,(H,23,25);1H.
What are the key properties of N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 424.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).