1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C22H25FN2O2 — CID 17019069

IUPAC1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN2O2/c1-14-12-15(2)20(16(3)13-14)24-21(26)17-8-10-25(11-9-17)22(27)18-6-4-5-7-19(18)23/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,26)
InChIKeyNNJZCFCMLYHDRW-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.24
Rot. Bonds3

About 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 17019069) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID17019069
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C22H25FN2O2/c1-14-12-15(2)20(16(3)13-14)24-21(26)17-8-10-25(11-9-17)22(27)18-6-4-5-7-19(18)23/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,26)
InChIKeyNNJZCFCMLYHDRW-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007362
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 17019069) is 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is NNJZCFCMLYHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-12-15(2)20(16(3)13-14)24-21(26)17-8-10-25(11-9-17)22(27)18-6-4-5-7-19(18)23/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,26).
What are the key properties of 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17019069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).