N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide

C23H29N3O3 — CID 55735415

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1cccc(CN2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-5-7-19(14-18)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)17-29-21-8-3-2-4-9-21/h2-9,14,20H,10-13,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyGPNSSHYVYBEOHT-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.27
Rot. Bonds8

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

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 55735415) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID55735415
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCc1cccc(CN2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-5-7-19(14-18)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)17-29-21-8-3-2-4-9-21/h2-9,14,20H,10-13,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyGPNSSHYVYBEOHT-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-[(2-chlorophenyl)methoxy]-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 47057697
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 55735415) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide is Cc1cccc(CN2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is GPNSSHYVYBEOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-6-5-7-19(14-18)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)17-29-21-8-3-2-4-9-21/h2-9,14,20H,10-13,15-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 55735415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).