2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid

C15H20N2O4 — CID 61186973

IUPAC2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11-5-2-3-8-17(11)15(20)16-12-6-4-7-13(9-12)21-10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyJUQSERPSHMMCIR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid

2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid (PubChem CID 61186973) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
PubChem CID61186973
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11-5-2-3-8-17(11)15(20)16-12-6-4-7-13(9-12)21-10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyJUQSERPSHMMCIR-UHFFFAOYSA-N
XLogP2.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenoxy]acetic acid
CID 120523542
(2R)-2-methyl-N-[2-(phenoxymethyl)phenyl]piperidine-1-carboxamide
CID 97092330

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid (CID 61186973) is 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid is CC1CCCCN1C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JUQSERPSHMMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-5-2-3-8-17(11)15(20)16-12-6-4-7-13(9-12)21-10-14(18)19/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61186973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).