2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid

C15H20N2O4 — CID 63746531

IUPAC2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2ccccc2OCC(=O)O)CCCNC1
InChIInChI=1S/C15H20N2O4/c1-15(7-4-8-16-10-15)14(20)17-11-5-2-3-6-12(11)21-9-13(18)19/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPRPSDHLLHMICEW-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.48
Rot. Bonds5

About 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid

2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 63746531) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID63746531
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCC1(C(=O)Nc2ccccc2OCC(=O)O)CCCNC1
InChIInChI=1S/C15H20N2O4/c1-15(7-4-8-16-10-15)14(20)17-11-5-2-3-6-12(11)21-9-13(18)19/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPRPSDHLLHMICEW-UHFFFAOYSA-N
XLogP1.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-methylpiperidine-3-carboxamide
CID 63130045
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
3-methyl-N-(2-propylphenyl)piperidine-3-carboxamide
CID 63130513
N-[2-(2-methoxyethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 102905773
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
3-methyl-N-(2-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 79043969
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 63130698
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119943653
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid (CID 63746531) is 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid is CC1(C(=O)Nc2ccccc2OCC(=O)O)CCCNC1.
What is the InChIKey of 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is PRPSDHLLHMICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(7-4-8-16-10-15)14(20)17-11-5-2-3-6-12(11)21-9-13(18)19/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63746531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).