methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate

C16H22N2O3 — CID 104596729

IUPACmethyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C1(C)CCCCN1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(10-6-7-11-17-16)15(20)18-13(14(19)21-2)12-8-4-3-5-9-12/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3,(H,18,20)
InChIKeyBZDIPNJTLFATIM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate

methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate (PubChem CID 104596729) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
PubChem CID104596729
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C1(C)CCCCN1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(10-6-7-11-17-16)15(20)18-13(14(19)21-2)12-8-4-3-5-9-12/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3,(H,18,20)
InChIKeyBZDIPNJTLFATIM-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
2-[(2-methylpyrrolidine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 113278766
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
CID 104596194

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate (CID 104596729) is methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)C1(C)CCCCN1)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is BZDIPNJTLFATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(10-6-7-11-17-16)15(20)18-13(14(19)21-2)12-8-4-3-5-9-12/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate?
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 290.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 104596729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).