3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride

C20H27Cl2N3O2 — CID 120612614

IUPAC3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C20H25N3O2.2ClH/c21-17-6-2-1-5-15(17)9-10-20(25)22-18-7-3-4-8-19(18)23-13-11-16(24)12-14-23;;/h1-8,16,24H,9-14,21H2,(H,22,25);2*1H
InChIKeyZIGORVCNFQUQHW-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.64
Rot. Bonds5

About 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride (PubChem CID 120612614) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
PubChem CID120612614
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C20H25N3O2.2ClH/c21-17-6-2-1-5-15(17)9-10-20(25)22-18-7-3-4-8-19(18)23-13-11-16(24)12-14-23;;/h1-8,16,24H,9-14,21H2,(H,22,25);2*1H
InChIKeyZIGORVCNFQUQHW-UHFFFAOYSA-N
XLogP3.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
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3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
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N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
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N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
CID 111109805
2-[2-(4-hydroxypiperidin-1-yl)anilino]-N-naphthalen-1-ylacetamide
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3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride (CID 120612614) is 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)Nc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride?
The InChIKey is ZIGORVCNFQUQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c21-17-6-2-1-5-15(17)9-10-20(25)22-18-7-3-4-8-19(18)23-13-11-16(24)12-14-23;;/h1-8,16,24H,9-14,21H2,(H,22,25);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).