2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C21H27N3O — CID 16896062

IUPAC2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-5-4-6-19(13-17)14-21(25)23-15-18-8-11-24(12-9-18)16-20-7-2-3-10-22-20/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,23,25)
InChIKeyRGGJSLHQXQOIDX-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.96
Rot. Bonds6

About 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 16896062) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID16896062
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(CC(=O)NCC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-5-4-6-19(13-17)14-21(25)23-15-18-8-11-24(12-9-18)16-20-7-2-3-10-22-20/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,23,25)
InChIKeyRGGJSLHQXQOIDX-UHFFFAOYSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548674

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 16896062) is 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide is Cc1cccc(CC(=O)NCC2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is RGGJSLHQXQOIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-5-4-6-19(13-17)14-21(25)23-15-18-8-11-24(12-9-18)16-20-7-2-3-10-22-20/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 16896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).