N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide

C22H27FN2O — CID 17152752

IUPACN-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O/c1-3-16(2)18-8-4-6-10-20(18)24-22(26)17-12-14-25(15-13-17)21-11-7-5-9-19(21)23/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyCTMWZJNXQGCALD-UHFFFAOYSA-N
MW354.47 g/mol
LogP5.19
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide

N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152752) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152752
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H27FN2O/c1-3-16(2)18-8-4-6-10-20(18)24-22(26)17-12-14-25(15-13-17)21-11-7-5-9-19(21)23/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyCTMWZJNXQGCALD-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152752) is N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide is CCC(C)c1ccccc1NC(=O)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is CTMWZJNXQGCALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-3-16(2)18-8-4-6-10-20(18)24-22(26)17-12-14-25(15-13-17)21-11-7-5-9-19(21)23/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).