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

C28H26ClN3O4 — CID 10051834

IUPAC2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C28H25N3O4.ClH/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34;/h1-10,15,20H,11-14,16-17H2,(H,29,32);1H
InChIKeyWVEOCRBPWLZMHF-UHFFFAOYSA-N
MW503.99 g/mol
LogP4.88
Rot. Bonds4

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

2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride (PubChem CID 10051834) has the molecular formula C28H26ClN3O4 and a molecular weight of 503.99 g/mol. Its IUPAC name is 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride
PubChem CID10051834
Molecular FormulaC28H26ClN3O4
Molecular Weight503.99 g/mol
Exact Mass503.16
IUPAC Name2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C28H25N3O4.ClH/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34;/h1-10,15,20H,11-14,16-17H2,(H,29,32);1H
InChIKeyWVEOCRBPWLZMHF-UHFFFAOYSA-N
XLogP4.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 9983661
N-(4-benzoylphenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10052376
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-2-yl)acetamide;hydrochloride
CID 10075282
N-(4-acetylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10094962
N-(4-Benzoyl-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
CID 10096226
2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride
CID 10098097
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-2-yl)acetamide;hydrochloride
CID 10324939
N-(4-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10325001
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10414310
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride
CID 10414853
2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 10435973
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-4-yl)acetamide;hydrochloride
CID 10481214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride (CID 10051834) is 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride is Cl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O.
What is the InChIKey of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride?
The InChIKey is WVEOCRBPWLZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4.ClH/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34;/h1-10,15,20H,11-14,16-17H2,(H,29,32);1H.
What are the key properties of 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride?
2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride has a molecular weight of 503.99 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 10051834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).