N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide

C24H29FN2O2 — CID 113006955

IUPACN-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c1-24(2,3)19-9-5-7-11-21(19)26-23(29)17-12-14-27(15-13-17)22(28)16-18-8-4-6-10-20(18)25/h4-11,17H,12-16H2,1-3H3,(H,26,29)
InChIKeyIZSVLKFOKKYXNB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.54
Rot. Bonds4

About N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide

N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113006955) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
PubChem CID113006955
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C24H29FN2O2/c1-24(2,3)19-9-5-7-11-21(19)26-23(29)17-12-14-27(15-13-17)22(28)16-18-8-4-6-10-20(18)25/h4-11,17H,12-16H2,1-3H3,(H,26,29)
InChIKeyIZSVLKFOKKYXNB-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008377
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110822805
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide (CID 113006955) is N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is IZSVLKFOKKYXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-24(2,3)19-9-5-7-11-21(19)26-23(29)17-12-14-27(15-13-17)22(28)16-18-8-4-6-10-20(18)25/h4-11,17H,12-16H2,1-3H3,(H,26,29).
What are the key properties of N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide?
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113006955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).