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

C20H24ClN3O2 — CID 2780

IUPAC4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/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)
InChIKeyBVPWJMCABCPUQY-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.33
Rot. Bonds5

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

4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide (PubChem CID 2780) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
PubChem CID2780
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/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)
InChIKeyBVPWJMCABCPUQY-UHFFFAOYSA-N
XLogP3.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.33
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 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

Metoclopramide
CID 4168
Cisapride
CID 6917698
Prucalopride
CID 3052762
Nemonapride
CID 156333
metoclopramide hydrochloride anhydrous
CID 23659
Mosapride
CID 119584
Cisapride (USP/INN)
CID 2769
Metoclopramide Hydrochloride
CID 441347
Zacopride
CID 108182
Norcisapride
CID 3019427
Cisapride monohydrate
CID 6917697
SC 53116
CID 132337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide (CID 2780) is 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is BVPWJMCABCPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/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).
What are the key properties of 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide?
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.33, 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 is sourced from PubChem (CID 2780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).