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

C23H33Cl2N3O2 — CID 119897800

IUPAC2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O2.2ClH/c24-22(20-10-5-2-6-11-20)23(27)25-14-7-17-28-21-12-15-26(16-13-21)18-19-8-3-1-4-9-19;;/h1-6,8-11,21-22H,7,12-18,24H2,(H,25,27);2*1H
InChIKeyBILYLPAHVGCQOL-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.72
Rot. Bonds9

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

2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride (PubChem CID 119897800) has the molecular formula C23H33Cl2N3O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
PubChem CID119897800
Molecular FormulaC23H33Cl2N3O2
Molecular Weight454.44 g/mol
Exact Mass453.19
IUPAC Name2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O2.2ClH/c24-22(20-10-5-2-6-11-20)23(27)25-14-7-17-28-21-12-15-26(16-13-21)18-19-8-3-1-4-9-19;;/h1-6,8-11,21-22H,7,12-18,24H2,(H,25,27);2*1H
InChIKeyBILYLPAHVGCQOL-UHFFFAOYSA-N
XLogP3.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.72
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

4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
CID 120565898
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
CID 120597388
3-(2-aminophenyl)-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]propanamide;dihydrochloride
CID 120613441
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
CID 111751952
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111966626
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997877
2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119835745
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride (CID 119897800) is 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is BILYLPAHVGCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.2ClH/c24-22(20-10-5-2-6-11-20)23(27)25-14-7-17-28-21-12-15-26(16-13-21)18-19-8-3-1-4-9-19;;/h1-6,8-11,21-22H,7,12-18,24H2,(H,25,27);2*1H.
What are the key properties of 2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride?
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 454.44 g/mol, XLogP of 3.72, 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-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119897800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).