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

C20H35Cl2N3O2 — CID 120565898

IUPAC4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-17(21)8-9-20(24)22-12-5-15-25-19-10-13-23(14-11-19)16-18-6-3-2-4-7-18;;/h2-4,6-7,17,19H,5,8-16,21H2,1H3,(H,22,24);2*1H
InChIKeyFUMZSHLZDRQNHO-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.14
Rot. Bonds10

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

4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride (PubChem CID 120565898) has the molecular formula C20H35Cl2N3O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
PubChem CID120565898
Molecular FormulaC20H35Cl2N3O2
Molecular Weight420.43 g/mol
Exact Mass419.21
IUPAC Name4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-17(21)8-9-20(24)22-12-5-15-25-19-10-13-23(14-11-19)16-18-6-3-2-4-7-18;;/h2-4,6-7,17,19H,5,8-16,21H2,1H3,(H,22,24);2*1H
InChIKeyFUMZSHLZDRQNHO-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.14
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
3-(2-aminophenyl)-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]propanamide;dihydrochloride
CID 120613441
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
CID 120597388
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-propylguanidine
CID 111751952
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111966626
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride (CID 120565898) is 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCCCOC1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride?
The InChIKey is FUMZSHLZDRQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.2ClH/c1-17(21)8-9-20(24)22-12-5-15-25-19-10-13-23(14-11-19)16-18-6-3-2-4-7-18;;/h2-4,6-7,17,19H,5,8-16,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride?
4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).