N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide

C22H28N2O3 — CID 17176539

IUPACN-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-26-15-16-27-21-9-7-19(8-10-21)22(25)23-20-11-13-24(14-12-20)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyIAZOPVWEAVGLGZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.11
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide

N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide (PubChem CID 17176539) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
PubChem CID17176539
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-26-15-16-27-21-9-7-19(8-10-21)22(25)23-20-11-13-24(14-12-20)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeyIAZOPVWEAVGLGZ-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
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)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-4-butoxybenzamide
CID 24818401
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
CID 6602988
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17176616

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide (CID 17176539) is N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide?
The InChIKey is IAZOPVWEAVGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-15-16-27-21-9-7-19(8-10-21)22(25)23-20-11-13-24(14-12-20)17-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide?
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17176539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).