N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

C17H28BrCl2N3O2 — CID 119899112

IUPACN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H26BrN3O2.2ClH/c1-23-11-8-19-12-17(22)20-16-6-9-21(10-7-16)13-14-2-4-15(18)5-3-14;;/h2-5,16,19H,6-13H2,1H3,(H,20,22);2*1H
InChIKeyQBAVBPLKJBIGIB-UHFFFAOYSA-N
MW457.24 g/mol
LogP2.61
Rot. Bonds8

About N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119899112) has the molecular formula C17H28BrCl2N3O2 and a molecular weight of 457.24 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119899112
Molecular FormulaC17H28BrCl2N3O2
Molecular Weight457.24 g/mol
Exact Mass455.07
IUPAC NameN-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H26BrN3O2.2ClH/c1-23-11-8-19-12-17(22)20-16-6-9-21(10-7-16)13-14-2-4-15(18)5-3-14;;/h2-5,16,19H,6-13H2,1H3,(H,20,22);2*1H
InChIKeyQBAVBPLKJBIGIB-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.24
LogP ≤ 52.61
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

N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854245
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
methyl 4-[[4-(2-methoxyethylamino)piperidin-1-yl]methyl]benzoate
CID 24732678

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119899112) is N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1.Cl.Cl.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is QBAVBPLKJBIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2.2ClH/c1-23-11-8-19-12-17(22)20-16-6-9-21(10-7-16)13-14-2-4-15(18)5-3-14;;/h2-5,16,19H,6-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 457.24 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119899112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).