N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide

C24H33N3O — CID 42454883

IUPACN-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
SMILESCCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)Cc1ccncc1
InChIInChI=1S/C24H33N3O/c1-3-27(24(28)18-21-8-13-25-14-9-21)19-22-10-15-26(16-11-22)17-12-23-7-5-4-6-20(23)2/h4-9,13-14,22H,3,10-12,15-19H2,1-2H3
InChIKeyQOFNUFJQKRLFTD-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.74
Rot. Bonds8

About N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide

N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 42454883) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
PubChem CID42454883
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
SMILESCCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)Cc1ccncc1
InChIInChI=1S/C24H33N3O/c1-3-27(24(28)18-21-8-13-25-14-9-21)19-22-10-15-26(16-11-22)17-12-23-7-5-4-6-20(23)2/h4-9,13-14,22H,3,10-12,15-19H2,1-2H3
InChIKeyQOFNUFJQKRLFTD-UHFFFAOYSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 72935541
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425
N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26331444
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337
N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide (CID 42454883) is N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide is CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)Cc1ccncc1.
What is the InChIKey of N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is QOFNUFJQKRLFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-27(24(28)18-21-8-13-25-14-9-21)19-22-10-15-26(16-11-22)17-12-23-7-5-4-6-20(23)2/h4-9,13-14,22H,3,10-12,15-19H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide?
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 379.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 42454883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).