N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide

C33H33N3O2 — CID 11613067

IUPACN-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C33H33N3O2/c1-24(37)34-29-12-6-5-11-28(29)26-15-16-31-33(23-26)38-32-14-8-7-13-30(32)36(31)27-18-21-35(22-19-27)20-17-25-9-3-2-4-10-25/h2-16,23,27H,17-22H2,1H3,(H,34,37)
InChIKeyYKPGGKNGJHADRE-UHFFFAOYSA-N
MW503.65 g/mol
LogP7.26
Rot. Bonds6

About N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide

N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide (PubChem CID 11613067) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide
PubChem CID11613067
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC NameN-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C33H33N3O2/c1-24(37)34-29-12-6-5-11-28(29)26-15-16-31-33(23-26)38-32-14-8-7-13-30(32)36(31)27-18-21-35(22-19-27)20-17-25-9-3-2-4-10-25/h2-16,23,27H,17-22H2,1H3,(H,34,37)
InChIKeyYKPGGKNGJHADRE-UHFFFAOYSA-N
XLogP7.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide (CID 11613067) is N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide?
The InChIKey is YKPGGKNGJHADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-24(37)34-29-12-6-5-11-28(29)26-15-16-31-33(23-26)38-32-14-8-7-13-30(32)36(31)27-18-21-35(22-19-27)20-17-25-9-3-2-4-10-25/h2-16,23,27H,17-22H2,1H3,(H,34,37).
What are the key properties of N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide?
N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide has a molecular weight of 503.65 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[10-[1-(2-phenylethyl)piperidin-4-yl]phenoxazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 11613067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).