N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C30H32N4O3 — CID 11756868

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccc(C)cc54)CC3)ccc21
InChIInChI=1S/C30H32N4O3/c1-3-33-26-7-5-4-6-24(26)25-17-22(10-11-27(25)33)31-29(35)18-32-14-12-23(13-15-32)34-28-16-20(2)8-9-21(28)19-37-30(34)36/h4-11,16-17,23H,3,12-15,18-19H2,1-2H3,(H,31,35)
InChIKeyXJXATZPOWDAZOR-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.68
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 11756868) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID11756868
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccc(C)cc54)CC3)ccc21
InChIInChI=1S/C30H32N4O3/c1-3-33-26-7-5-4-6-24(26)25-17-22(10-11-27(25)33)31-29(35)18-32-14-12-23(13-15-32)34-28-16-20(2)8-9-21(28)19-37-30(34)36/h4-11,16-17,23H,3,12-15,18-19H2,1-2H3,(H,31,35)
InChIKeyXJXATZPOWDAZOR-UHFFFAOYSA-N
XLogP5.68
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 11756868) is N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccc(C)cc54)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is XJXATZPOWDAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-3-33-26-7-5-4-6-24(26)25-17-22(10-11-27(25)33)31-29(35)18-32-14-12-23(13-15-32)34-28-16-20(2)8-9-21(28)19-37-30(34)36/h4-11,16-17,23H,3,12-15,18-19H2,1-2H3,(H,31,35).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 496.61 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[4-(7-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 11756868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).