2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride

C24H35Cl2N3O2 — CID 120597388

IUPAC2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-24(25,21-11-6-3-7-12-21)23(28)26-15-8-18-29-22-13-16-27(17-14-22)19-20-9-4-2-5-10-20;;/h2-7,9-12,22H,8,13-19,25H2,1H3,(H,26,28);2*1H
InChIKeyADERGDAAIBZDER-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.89
Rot. Bonds9

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

2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597388) has the molecular formula C24H35Cl2N3O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597388
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.47 g/mol
Exact Mass467.21
IUPAC Name2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-24(25,21-11-6-3-7-12-21)23(28)26-15-8-18-29-22-13-16-27(17-14-22)19-20-9-4-2-5-10-20;;/h2-7,9-12,22H,8,13-19,25H2,1H3,(H,26,28);2*1H
InChIKeyADERGDAAIBZDER-UHFFFAOYSA-N
XLogP3.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
CID 119897800
4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
CID 120565898
3-(2-aminophenyl)-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]propanamide;dihydrochloride
CID 120613441
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
CID 111751952
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111966626
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111999112
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride (CID 120597388) is 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride is CC(N)(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is ADERGDAAIBZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.2ClH/c1-24(25,21-11-6-3-7-12-21)23(28)26-15-8-18-29-22-13-16-27(17-14-22)19-20-9-4-2-5-10-20;;/h2-7,9-12,22H,8,13-19,25H2,1H3,(H,26,28);2*1H.
What are the key properties of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 468.47 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).