N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C28H28N4O4 — CID 10051023

IUPACN-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C28H28N4O4/c1-35-21-7-9-26-18(14-21)17-36-28(34)32(26)20-10-12-31(13-11-20)16-27(33)29-19-6-8-25-23(15-19)22-4-2-3-5-24(22)30-25/h2-9,14-15,20,30H,10-13,16-17H2,1H3,(H,29,33)
InChIKeyUDNJSJVVWIAJCO-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.89
Rot. Bonds5

About N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10051023) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10051023
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC NameN-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C28H28N4O4/c1-35-21-7-9-26-18(14-21)17-36-28(34)32(26)20-10-12-31(13-11-20)16-27(33)29-19-6-8-25-23(15-19)22-4-2-3-5-24(22)30-25/h2-9,14-15,20,30H,10-13,16-17H2,1H3,(H,29,33)
InChIKeyUDNJSJVVWIAJCO-UHFFFAOYSA-N
XLogP4.89
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10051023) is N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is COc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3[nH]c4ccccc4c3c2)CC1.
What is the InChIKey of N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is UDNJSJVVWIAJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-35-21-7-9-26-18(14-21)17-36-28(34)32(26)20-10-12-31(13-11-20)16-27(33)29-19-6-8-25-23(15-19)22-4-2-3-5-24(22)30-25/h2-9,14-15,20,30H,10-13,16-17H2,1H3,(H,29,33).
What are the key properties of N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-carbazol-3-yl)-2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10051023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).