4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride

C20H26Cl3N3O2 — CID 119827622

IUPAC4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;;/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2*1H
InChIKeyLCTWQLKNAHDHHM-UHFFFAOYSA-N
MW446.81 g/mol
LogP4.17
Rot. Bonds5

About 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride

4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride (PubChem CID 119827622) has the molecular formula C20H26Cl3N3O2 and a molecular weight of 446.81 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
PubChem CID119827622
Molecular FormulaC20H26Cl3N3O2
Molecular Weight446.81 g/mol
Exact Mass445.11
IUPAC Name4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;;/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2*1H
InChIKeyLCTWQLKNAHDHHM-UHFFFAOYSA-N
XLogP4.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
CID 3044767
4-amino-5-chloro-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-2-methoxybenzamide;hydrate;hydrochloride
CID 70607387
4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
N-(4-amino-5-chloro-2-methoxybenzoyl)-1-benzylpiperidin-4-amine oxide
CID 21121278
N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxy-4-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 3044764
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-[(2S)-pent-3-yn-2-yl]oxybenzamide
CID 15338141
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(2-methylpropanoylamino)benzamide
CID 10836365
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride (CID 119827622) is 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride?
The InChIKey is LCTWQLKNAHDHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.2ClH/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;;/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride?
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride has a molecular weight of 446.81 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride is sourced from PubChem (CID 119827622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).