2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide

C26H25N3O3 — CID 24985384

IUPAC2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
SMILESO=C(CN1CCC(Nc2ccccc2O)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C26H25N3O3/c30-24-8-4-3-7-23(24)27-17-11-13-29(14-12-17)16-25(31)28-18-9-10-21-22(15-18)19-5-1-2-6-20(19)26(21)32/h1-10,15,17,27,30H,11-14,16H2,(H,28,31)
InChIKeyLLHZUGRKVDEZEM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.12
Rot. Bonds5

About 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide

2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide (PubChem CID 24985384) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
PubChem CID24985384
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
SMILESO=C(CN1CCC(Nc2ccccc2O)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O
InChIInChI=1S/C26H25N3O3/c30-24-8-4-3-7-23(24)27-17-11-13-29(14-12-17)16-25(31)28-18-9-10-21-22(15-18)19-5-1-2-6-20(19)26(21)32/h1-10,15,17,27,30H,11-14,16H2,(H,28,31)
InChIKeyLLHZUGRKVDEZEM-UHFFFAOYSA-N
XLogP4.12
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
CID 24985386
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(9-oxofluoren-2-yl)acetamide
CID 98304323
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 34224927
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 11940771
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10482173
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742448
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide (CID 24985384) is 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide is O=C(CN1CCC(Nc2ccccc2O)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O.
What is the InChIKey of 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The InChIKey is LLHZUGRKVDEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24-8-4-3-7-23(24)27-17-11-13-29(14-12-17)16-25(31)28-18-9-10-21-22(15-18)19-5-1-2-6-20(19)26(21)32/h1-10,15,17,27,30H,11-14,16H2,(H,28,31).
What are the key properties of 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide is sourced from PubChem (CID 24985384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).