4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid

C16H22N2O4 — CID 122625042

IUPAC4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid
SMILESCC1(NCC(=O)OCc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-16(7-9-18(10-8-16)15(20)21)17-11-14(19)22-12-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,20,21)
InChIKeyPAXHLQGOBONTKK-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.85
Rot. Bonds5

About 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid

4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid (PubChem CID 122625042) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid
PubChem CID122625042
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid
SMILESCC1(NCC(=O)OCc2ccccc2)CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-16(7-9-18(10-8-16)15(20)21)17-11-14(19)22-12-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,20,21)
InChIKeyPAXHLQGOBONTKK-UHFFFAOYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
CID 177254785
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl 3-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]azetidine-1-carboxylate
CID 170985624
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 18536406
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl 2-benzamidoacetate;ethane
CID 142836612

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid (CID 122625042) is 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid is CC1(NCC(=O)OCc2ccccc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is PAXHLQGOBONTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(7-9-18(10-8-16)15(20)21)17-11-14(19)22-12-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,20,21).
What are the key properties of 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid?
4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 122625042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).