N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C27H25FN4O3 — CID 10367537

IUPACN-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3c(F)cccc32)CC1)Nc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C27H25FN4O3/c28-22-5-3-7-25-21(22)16-35-27(34)32(25)18-10-12-31(13-11-18)15-26(33)29-17-8-9-24-20(14-17)19-4-1-2-6-23(19)30-24/h1-9,14,18,30H,10-13,15-16H2,(H,29,33)
InChIKeyKADRJXGKSUYEMQ-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.02
Rot. Bonds4

About N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10367537) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10367537
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC NameN-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3c(F)cccc32)CC1)Nc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C27H25FN4O3/c28-22-5-3-7-25-21(22)16-35-27(34)32(25)18-10-12-31(13-11-18)15-26(33)29-17-8-9-24-20(14-17)19-4-1-2-6-23(19)30-24/h1-9,14,18,30H,10-13,15-16H2,(H,29,33)
InChIKeyKADRJXGKSUYEMQ-UHFFFAOYSA-N
XLogP5.02
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-phenylacetamide
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N-(4-acetylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
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CID 10317576
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 11408358
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
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N-[4-(N-ethylanilino)phenyl]-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10459355
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10006877
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(4-cyclohexylphenyl)acetamide
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2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
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2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10367537) is N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-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-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3c(F)cccc32)CC1)Nc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is KADRJXGKSUYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c28-22-5-3-7-25-21(22)16-35-27(34)32(25)18-10-12-31(13-11-18)15-26(33)29-17-8-9-24-20(14-17)19-4-1-2-6-23(19)30-24/h1-9,14,18,30H,10-13,15-16H2,(H,29,33).
What are the key properties of N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-carbazol-3-yl)-2-[4-(5-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10367537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).