N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide

C21H26N2O — CID 6465155

IUPACN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O/c1-17-6-5-9-19(14-17)15-21(24)22-20-10-12-23(13-11-20)16-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyOCTWJKVOKNQUSO-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.32
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide (PubChem CID 6465155) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
PubChem CID6465155
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O/c1-17-6-5-9-19(14-17)15-21(24)22-20-10-12-23(13-11-20)16-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24)
InChIKeyOCTWJKVOKNQUSO-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-[(2-chlorophenyl)methoxy]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 47057697
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
[3-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-(2-methylphenyl)carbamate;hydrochloride
CID 50907676

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide (CID 6465155) is N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is OCTWJKVOKNQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-6-5-9-19(14-17)15-21(24)22-20-10-12-23(13-11-20)16-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 6465155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).