1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

C23H27FN2O2 — CID 55738740

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-16(2)20-7-3-4-8-21(20)25-23(28)18-6-5-13-26(15-18)22(27)14-17-9-11-19(24)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyOTTJYKZDXCSFIW-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 55738740) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID55738740
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H27FN2O2/c1-16(2)20-7-3-4-8-21(20)25-23(28)18-6-5-13-26(15-18)22(27)14-17-9-11-19(24)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyOTTJYKZDXCSFIW-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (CID 55738740) is 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is OTTJYKZDXCSFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16(2)20-7-3-4-8-21(20)25-23(28)18-6-5-13-26(15-18)22(27)14-17-9-11-19(24)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,25,28).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55738740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).