N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

C29H30ClN3O4 — CID 11237711

IUPACN-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3cccc4c3-c3ccccc3C4O)CC1)C(=O)OC2.Cl
InChIInChI=1S/C29H29N3O4.ClH/c1-18-6-4-7-19-17-36-29(35)32(27(18)19)20-12-14-31(15-13-20)16-25(33)30-24-11-5-10-23-26(24)21-8-2-3-9-22(21)28(23)34;/h2-11,20,28,34H,12-17H2,1H3,(H,30,33);1H
InChIKeyORNAQKRJHJIKAM-UHFFFAOYSA-N
MW520.03 g/mol
LogP5.04
Rot. Bonds4

About N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 11237711) has the molecular formula C29H30ClN3O4 and a molecular weight of 520.03 g/mol. Its IUPAC name is N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID11237711
Molecular FormulaC29H30ClN3O4
Molecular Weight520.03 g/mol
Exact Mass519.19
IUPAC NameN-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cccc2c1N(C1CCN(CC(=O)Nc3cccc4c3-c3ccccc3C4O)CC1)C(=O)OC2.Cl
InChIInChI=1S/C29H29N3O4.ClH/c1-18-6-4-7-19-17-36-29(35)32(27(18)19)20-12-14-31(15-13-20)16-25(33)30-24-11-5-10-23-26(24)21-8-2-3-9-22(21)28(23)34;/h2-11,20,28,34H,12-17H2,1H3,(H,30,33);1H
InChIKeyORNAQKRJHJIKAM-UHFFFAOYSA-N
XLogP5.04
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.03
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22063092
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
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2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (CID 11237711) is N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is Cc1cccc2c1N(C1CCN(CC(=O)Nc3cccc4c3-c3ccccc3C4O)CC1)C(=O)OC2.Cl.
What is the InChIKey of N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is ORNAQKRJHJIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4.ClH/c1-18-6-4-7-19-17-36-29(35)32(27(18)19)20-12-14-31(15-13-20)16-25(33)30-24-11-5-10-23-26(24)21-8-2-3-9-22(21)28(23)34;/h2-11,20,28,34H,12-17H2,1H3,(H,30,33);1H.
What are the key properties of N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?
N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 520.03 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxy-9H-fluoren-4-yl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 11237711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).