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

C29H30N4O3 — CID 10075319

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21
InChIInChI=1S/C29H30N4O3/c1-2-32-26-10-6-4-8-23(26)24-17-21(11-12-27(24)32)30-28(34)18-31-15-13-22(14-16-31)33-25-9-5-3-7-20(25)19-36-29(33)35/h3-12,17,22H,2,13-16,18-19H2,1H3,(H,30,34)
InChIKeyJTBRRNXYGHOZGU-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.37
Rot. Bonds5

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

N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10075319) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10075319
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21
InChIInChI=1S/C29H30N4O3/c1-2-32-26-10-6-4-8-23(26)24-17-21(11-12-27(24)32)30-28(34)18-31-15-13-22(14-16-31)33-25-9-5-3-7-20(25)19-36-29(33)35/h3-12,17,22H,2,13-16,18-19H2,1H3,(H,30,34)
InChIKeyJTBRRNXYGHOZGU-UHFFFAOYSA-N
XLogP5.37
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.37
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-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10075319) is N-(9-ethylcarbazol-3-yl)-2-[4-(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-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is JTBRRNXYGHOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-2-32-26-10-6-4-8-23(26)24-17-21(11-12-27(24)32)30-28(34)18-31-15-13-22(14-16-31)33-25-9-5-3-7-20(25)19-36-29(33)35/h3-12,17,22H,2,13-16,18-19H2,1H3,(H,30,34).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 482.58 g/mol, XLogP of 5.37, 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-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10075319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).