[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate

C23H28N2O4 — CID 59814811

IUPAC[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)28-15-18-11-13-25(14-12-18)23(27)29-16-22(26)24-2/h3-10,18H,11-16H2,1-2H3,(H,24,26)
InChIKeyLTDNFUGTSBZIEZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.64
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate

[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 59814811) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
PubChem CID59814811
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)28-15-18-11-13-25(14-12-18)23(27)29-16-22(26)24-2/h3-10,18H,11-16H2,1-2H3,(H,24,26)
InChIKeyLTDNFUGTSBZIEZ-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 142662808
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
CID 143689729
CID 143689729
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
propan-2-yl 4-[[4-[4-(1,2,4-triazol-4-ylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 59177766

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate (CID 59814811) is [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate is CNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is LTDNFUGTSBZIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-3-5-19(6-4-17)20-7-9-21(10-8-20)28-15-18-11-13-25(14-12-18)23(27)29-16-22(26)24-2/h3-10,18H,11-16H2,1-2H3,(H,24,26).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59814811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).