3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride

C20H26Cl3N3O — CID 119879593

IUPAC3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-7,12,15H,8-11,13-14,22H2,(H,23,25);2*1H
InChIKeyIVKFNMCECOHVDL-UHFFFAOYSA-N
MW430.81 g/mol
LogP4.41
Rot. Bonds5

About 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride

3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride (PubChem CID 119879593) has the molecular formula C20H26Cl3N3O and a molecular weight of 430.81 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
PubChem CID119879593
Molecular FormulaC20H26Cl3N3O
Molecular Weight430.81 g/mol
Exact Mass429.11
IUPAC Name3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C20H24ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-7,12,15H,8-11,13-14,22H2,(H,23,25);2*1H
InChIKeyIVKFNMCECOHVDL-UHFFFAOYSA-N
XLogP4.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.81
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;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

2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 119879572
trans-(1S,3S)-3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124699225
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 136524248
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride (CID 119879593) is 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride?
The InChIKey is IVKFNMCECOHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O.2ClH/c21-19-7-2-1-4-17(19)14-24-10-8-15(9-11-24)13-23-20(25)16-5-3-6-18(22)12-16;;/h1-7,12,15H,8-11,13-14,22H2,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride?
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride has a molecular weight of 430.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119879593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).