2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide

C21H24N2O3 — CID 169115093

IUPAC2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCC1CCC(c2ccc(OCc3ccccc3)cc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C21H24N2O3/c1-15-7-12-19(23(13-15)21(25)20(22)24)17-8-10-18(11-9-17)26-14-16-5-3-2-4-6-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H2,22,24)
InChIKeySAIJNFQAAFDTGF-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.05
Rot. Bonds4

About 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide

2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169115093) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID169115093
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCC1CCC(c2ccc(OCc3ccccc3)cc2)N(C(=O)C(N)=O)C1
InChIInChI=1S/C21H24N2O3/c1-15-7-12-19(23(13-15)21(25)20(22)24)17-8-10-18(11-9-17)26-14-16-5-3-2-4-6-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H2,22,24)
InChIKeySAIJNFQAAFDTGF-UHFFFAOYSA-N
XLogP3.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 169114013
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233
2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115043
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66700307
2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114365
lithium 2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetate
CID 164751848
2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114502
2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113224
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
benzyl (2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidine-1-carboxylate
CID 169112142
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide (CID 169115093) is 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide is CC1CCC(c2ccc(OCc3ccccc3)cc2)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is SAIJNFQAAFDTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-12-19(23(13-15)21(25)20(22)24)17-8-10-18(11-9-17)26-14-16-5-3-2-4-6-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H2,22,24).
What are the key properties of 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide?
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 352.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).