N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide

C34H32N2O2 — CID 174528204

IUPACN-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CCN(C=Cc2ccccc2)CC1
InChIInChI=1S/C34H32N2O2/c1-24(37)35-31-13-7-5-11-28(31)27-15-16-30-33(23-27)38-32-14-8-6-12-29(32)34(30)26-18-21-36(22-19-26)20-17-25-9-3-2-4-10-25/h2-17,20,23,26,34H,18-19,21-22H2,1H3,(H,35,37)
InChIKeyRIHADAKSAWORNV-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.93
Rot. Bonds5

About N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide

N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide (PubChem CID 174528204) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide
PubChem CID174528204
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC NameN-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CCN(C=Cc2ccccc2)CC1
InChIInChI=1S/C34H32N2O2/c1-24(37)35-31-13-7-5-11-28(31)27-15-16-30-33(23-27)38-32-14-8-6-12-29(32)34(30)26-18-21-36(22-19-26)20-17-25-9-3-2-4-10-25/h2-17,20,23,26,34H,18-19,21-22H2,1H3,(H,35,37)
InChIKeyRIHADAKSAWORNV-UHFFFAOYSA-N
XLogP7.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[9-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 11627882
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-hydroxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348754
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-yl)-8-methoxy-9H-xanthen-3-yl]phenyl]acetamide
CID 69348994
N-[2-[5-hydroxy-9-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 11613514
N-[2-[9-(8-azabicyclo[3.2.1]octan-3-ylidene)xanthen-3-yl]phenyl]acetamide
CID 11582582
N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
CID 69349202
tert-butyl (1R,5S)-3-[3-(2-acetamidophenyl)phenoxazin-10-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59814688
N-[2-(6-hydroxy-10-piperidin-4-ylphenoxazin-3-yl)phenyl]acetamide
CID 11524493
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
2,2,2-trifluoro-1-[4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidin-1-yl]ethanone
CID 58661997
N-[2-[10-(8-azabicyclo[3.2.1]octan-3-yl)-6-hydroxyphenoxazin-3-yl]phenyl]acetamide
CID 11546696
N-[2-[10-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenoxazin-3-yl]phenyl]acetamide
CID 11526496

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide (CID 174528204) is N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CCN(C=Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The InChIKey is RIHADAKSAWORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-24(37)35-31-13-7-5-11-28(31)27-15-16-30-33(23-27)38-32-14-8-6-12-29(32)34(30)26-18-21-36(22-19-26)20-17-25-9-3-2-4-10-25/h2-17,20,23,26,34H,18-19,21-22H2,1H3,(H,35,37).
What are the key properties of N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide?
N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide has a molecular weight of 500.64 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-[1-(2-phenylethenyl)piperidin-4-yl]-9H-xanthen-3-yl]phenyl]acetamide is sourced from PubChem (CID 174528204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).