methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate

C16H22N2O3 — CID 110821768

IUPACmethyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-3-5-13(10-12)11-15(19)17-14-6-8-18(9-7-14)16(20)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyGRXWPXITMREFER-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.88
Rot. Bonds3

About methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate

methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110821768) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110821768
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-3-5-13(10-12)11-15(19)17-14-6-8-18(9-7-14)16(20)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyGRXWPXITMREFER-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916770
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638931
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate (CID 110821768) is methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is GRXWPXITMREFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-3-5-13(10-12)11-15(19)17-14-6-8-18(9-7-14)16(20)21-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate?
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).