4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride

C26H29Cl2N3O2 — CID 3044767

IUPAC4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C26H28ClN3O2.ClH/c1-32-24-17-23(28)22(27)16-21(24)26(31)29-20-12-14-30(15-13-20)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20,25H,12-15,28H2,1H3,(H,29,31);1H
InChIKeyJYOPMVKUURIZDE-UHFFFAOYSA-N
MW486.44 g/mol
LogP5.34
Rot. Bonds6

About 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride

4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride (PubChem CID 3044767) has the molecular formula C26H29Cl2N3O2 and a molecular weight of 486.44 g/mol. Its IUPAC name is 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
PubChem CID3044767
Molecular FormulaC26H29Cl2N3O2
Molecular Weight486.44 g/mol
Exact Mass485.16
IUPAC Name4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C26H28ClN3O2.ClH/c1-32-24-17-23(28)22(27)16-21(24)26(31)29-20-12-14-30(15-13-20)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20,25H,12-15,28H2,1H3,(H,29,31);1H
InChIKeyJYOPMVKUURIZDE-UHFFFAOYSA-N
XLogP5.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride 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-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547
methyl 5-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]hexanoate
CID 142628583
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
4-amino-5-chloro-2-methoxy-N-(2-oxo-1-phenylpiperidin-3-yl)benzamide;hydrochloride
CID 119787621
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
4-amino-5-chloro-2-methoxy-N-(2-phenylcyclopentyl)benzamide
CID 119783099
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride (CID 3044767) is 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride?
The InChIKey is JYOPMVKUURIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2.ClH/c1-32-24-17-23(28)22(27)16-21(24)26(31)29-20-12-14-30(15-13-20)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,16-17,20,25H,12-15,28H2,1H3,(H,29,31);1H.
What are the key properties of 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride?
4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride has a molecular weight of 486.44 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzhydrylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 3044767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).