2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride

C21H29Cl2N3O2 — CID 119946536

IUPAC2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1N)N1CCCCC1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-26-20-12-6-4-10-17(20)19(24-13-7-2-8-14-24)15-23-21(25)16-9-3-5-11-18(16)22;;/h3-6,9-12,19H,2,7-8,13-15,22H2,1H3,(H,23,25);2*1H
InChIKeyNBJXQNMPLRFIKN-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.08
Rot. Bonds6

About 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride

2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride (PubChem CID 119946536) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
PubChem CID119946536
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1N)N1CCCCC1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-26-20-12-6-4-10-17(20)19(24-13-7-2-8-14-24)15-23-21(25)16-9-3-5-11-18(16)22;;/h3-6,9-12,19H,2,7-8,13-15,22H2,1H3,(H,23,25);2*1H
InChIKeyNBJXQNMPLRFIKN-UHFFFAOYSA-N
XLogP4.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.08
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

2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009
2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533705
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride (CID 119946536) is 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride is COc1ccccc1C(CNC(=O)c1ccccc1N)N1CCCCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride?
The InChIKey is NBJXQNMPLRFIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-26-20-12-6-4-10-17(20)19(24-13-7-2-8-14-24)15-23-21(25)16-9-3-5-11-18(16)22;;/h3-6,9-12,19H,2,7-8,13-15,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride?
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).