N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C25H33FN2O2 — CID 55861856

IUPACN-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(O)c(CN2CCC(C(=O)NCCc3ccccc3F)CC2)cc1C(C)C
InChIInChI=1S/C25H33FN2O2/c1-17(2)22-15-21(24(29)14-18(22)3)16-28-12-9-20(10-13-28)25(30)27-11-8-19-6-4-5-7-23(19)26/h4-7,14-15,17,20,29H,8-13,16H2,1-3H3,(H,27,30)
InChIKeyODKPHTGCUABYSQ-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.53
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55861856) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID55861856
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1cc(O)c(CN2CCC(C(=O)NCCc3ccccc3F)CC2)cc1C(C)C
InChIInChI=1S/C25H33FN2O2/c1-17(2)22-15-21(24(29)14-18(22)3)16-28-12-9-20(10-13-28)25(30)27-11-8-19-6-4-5-7-23(19)26/h4-7,14-15,17,20,29H,8-13,16H2,1-3H3,(H,27,30)
InChIKeyODKPHTGCUABYSQ-UHFFFAOYSA-N
XLogP4.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47039591
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738816
N-[2-(2-fluorophenyl)ethyl]-1-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 47056014
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 55861856) is N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is Cc1cc(O)c(CN2CCC(C(=O)NCCc3ccccc3F)CC2)cc1C(C)C.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ODKPHTGCUABYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-17(2)22-15-21(24(29)14-18(22)3)16-28-12-9-20(10-13-28)25(30)27-11-8-19-6-4-5-7-23(19)26/h4-7,14-15,17,20,29H,8-13,16H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 412.55 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55861856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).