2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid

C20H28N2O5 — CID 119255824

IUPAC2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NCCc2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C20H28N2O5/c1-14(2)20(26)22-11-8-16(9-12-22)19(25)21-10-7-15-3-5-17(6-4-15)27-13-18(23)24/h3-6,14,16H,7-13H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyMITWYLNXFIACPO-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.70
Rot. Bonds8

About 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255824) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255824
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NCCc2ccc(OCC(=O)O)cc2)CC1
InChIInChI=1S/C20H28N2O5/c1-14(2)20(26)22-11-8-16(9-12-22)19(25)21-10-7-15-3-5-17(6-4-15)27-13-18(23)24/h3-6,14,16H,7-13H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyMITWYLNXFIACPO-UHFFFAOYSA-N
XLogP1.70
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32560217
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid (CID 119255824) is 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid is CC(C)C(=O)N1CCC(C(=O)NCCc2ccc(OCC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is MITWYLNXFIACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14(2)20(26)22-11-8-16(9-12-22)19(25)21-10-7-15-3-5-17(6-4-15)27-13-18(23)24/h3-6,14,16H,7-13H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).