2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide

C21H21F3N2O4 — CID 108556719

IUPAC2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C21H21F3N2O4/c1-29-16-4-2-3-5-17(16)30-12-18(27)25-13-8-10-26(11-9-13)21(28)14-6-7-15(22)20(24)19(14)23/h2-7,13H,8-12H2,1H3,(H,25,27)
InChIKeyCWWRASRQYKITOX-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide

2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108556719) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108556719
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C21H21F3N2O4/c1-29-16-4-2-3-5-17(16)30-12-18(27)25-13-8-10-26(11-9-13)21(28)14-6-7-15(22)20(24)19(14)23/h2-7,13H,8-12H2,1H3,(H,25,27)
InChIKeyCWWRASRQYKITOX-UHFFFAOYSA-N
XLogP2.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
2-(4-chlorophenyl)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108566655
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide (CID 108556719) is 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide is COc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is CWWRASRQYKITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-29-16-4-2-3-5-17(16)30-12-18(27)25-13-8-10-26(11-9-13)21(28)14-6-7-15(22)20(24)19(14)23/h2-7,13H,8-12H2,1H3,(H,25,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide?
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 422.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108556719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).