N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide

C22H28N2O2 — CID 55645284

IUPACN-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-21(13-11-17)26-18(2)22(25)23-20-9-6-14-24(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyTXZPUOQUAHMDGQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.54
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide

N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide (PubChem CID 55645284) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
PubChem CID55645284
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NC2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-10-12-21(13-11-17)26-18(2)22(25)23-20-9-6-14-24(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyTXZPUOQUAHMDGQ-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide (CID 55645284) is N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NC2CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide?
The InChIKey is TXZPUOQUAHMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-10-12-21(13-11-17)26-18(2)22(25)23-20-9-6-14-24(16-20)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,20H,6,9,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide?
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 55645284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).