3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride

C20H27Cl2N3O2 — CID 119953315

IUPAC3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)Nc1ccccc1N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2.2ClH/c21-17(15-6-2-1-3-7-15)14-20(25)22-18-8-4-5-9-19(18)23-12-10-16(24)11-13-23;;/h1-9,16-17,24H,10-14,21H2,(H,22,25);2*1H
InChIKeyTVLMGVKSZNNRRI-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.52
Rot. Bonds5

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

3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119953315) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119953315
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CC(=O)Nc1ccccc1N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2.2ClH/c21-17(15-6-2-1-3-7-15)14-20(25)22-18-8-4-5-9-19(18)23-12-10-16(24)11-13-23;;/h1-9,16-17,24H,10-14,21H2,(H,22,25);2*1H
InChIKeyTVLMGVKSZNNRRI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
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3-(2-aminophenyl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]propanamide;dihydrochloride
CID 120612614
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
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N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
3-amino-N-(2-cyclopentylsulfanylphenyl)-3-phenylpropanamide;hydrochloride
CID 119950014
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 71922108

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride (CID 119953315) is 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride is Cl.Cl.NC(CC(=O)Nc1ccccc1N1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is TVLMGVKSZNNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c21-17(15-6-2-1-3-7-15)14-20(25)22-18-8-4-5-9-19(18)23-12-10-16(24)11-13-23;;/h1-9,16-17,24H,10-14,21H2,(H,22,25);2*1H.
What are the key properties of 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119953315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).