2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide

C27H28N2O4 — CID 141019781

IUPAC2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
SMILESCC(=O)N1CCC(Oc2ccc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H28N2O4/c1-20(30)29-17-15-26(16-18-29)33-25-13-11-24(12-14-25)32-23-9-7-21(8-10-23)19-27(31)28-22-5-3-2-4-6-22/h2-14,26H,15-19H2,1H3,(H,28,31)
InChIKeyJRCYJZRCTLXEPM-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.05
Rot. Bonds7

About 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide

2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide (PubChem CID 141019781) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
PubChem CID141019781
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
SMILESCC(=O)N1CCC(Oc2ccc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H28N2O4/c1-20(30)29-17-15-26(16-18-29)33-25-13-11-24(12-14-25)32-23-9-7-21(8-10-23)19-27(31)28-22-5-3-2-4-6-22/h2-14,26H,15-19H2,1H3,(H,28,31)
InChIKeyJRCYJZRCTLXEPM-UHFFFAOYSA-N
XLogP5.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[4-(5-methoxycyclooctyl)oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20781005
2-methyl-N-[4-[[[N-methyl-C-(4-phenoxypiperidin-1-yl)carbonimidoyl]amino]methyl]phenyl]propanamide
CID 109425506
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
CID 22484932
N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 175623233
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
2-[[2-[4-[4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601943
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide (CID 141019781) is 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide is CC(=O)N1CCC(Oc2ccc(Oc3ccc(CC(=O)Nc4ccccc4)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide?
The InChIKey is JRCYJZRCTLXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-20(30)29-17-15-26(16-18-29)33-25-13-11-24(12-14-25)32-23-9-7-21(8-10-23)19-27(31)28-22-5-3-2-4-6-22/h2-14,26H,15-19H2,1H3,(H,28,31).
What are the key properties of 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide?
2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide has a molecular weight of 444.53 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide is sourced from PubChem (CID 141019781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).