N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide

C27H31N3O4 — CID 16589772

IUPACN-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1)Nc1ccccc1
InChIInChI=1S/C27H31N3O4/c31-26(28-19-6-2-1-3-7-19)17-30-14-12-20(13-15-30)29-27(32)18-33-21-10-11-25-23(16-21)22-8-4-5-9-24(22)34-25/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H,28,31)(H,29,32)
InChIKeyBVPMAHSMTQICIB-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.91
Rot. Bonds7

About N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide

N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 16589772) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
PubChem CID16589772
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1)Nc1ccccc1
InChIInChI=1S/C27H31N3O4/c31-26(28-19-6-2-1-3-7-19)17-30-14-12-20(13-15-30)29-27(32)18-33-21-10-11-25-23(16-21)22-8-4-5-9-24(22)34-25/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H,28,31)(H,29,32)
InChIKeyBVPMAHSMTQICIB-UHFFFAOYSA-N
XLogP3.91
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8712821
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 26722849
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55801298
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353
2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 16613375
N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 17390804
2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
CID 24896741
N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 37274733

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide (CID 16589772) is N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide is O=C(CN1CCC(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is BVPMAHSMTQICIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c31-26(28-19-6-2-1-3-7-19)17-30-14-12-20(13-15-30)29-27(32)18-33-21-10-11-25-23(16-21)22-8-4-5-9-24(22)34-25/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H,28,31)(H,29,32).
What are the key properties of N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide?
N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 461.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 16589772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).