N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide

C27H27FN2O2 — CID 45241693

IUPACN-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C27H27FN2O2/c1-18-8-6-9-19(2)25(18)29-27(32)30-15-7-12-22(17-30)26(31)21-13-14-23(24(28)16-21)20-10-4-3-5-11-20/h3-6,8-11,13-14,16,22H,7,12,15,17H2,1-2H3,(H,29,32)
InChIKeyYCZOTNUNNHVDSZ-UHFFFAOYSA-N
MW430.52 g/mol
LogP6.24
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide

N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide (PubChem CID 45241693) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
PubChem CID45241693
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC NameN-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C27H27FN2O2/c1-18-8-6-9-19(2)25(18)29-27(32)30-15-7-12-22(17-30)26(31)21-13-14-23(24(28)16-21)20-10-4-3-5-11-20/h3-6,8-11,13-14,16,22H,7,12,15,17H2,1-2H3,(H,29,32)
InChIKeyYCZOTNUNNHVDSZ-UHFFFAOYSA-N
XLogP6.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-fluoro-4-phenylbenzoyl)-N-propylpiperidine-1-carboxamide
CID 26393022
ethyl 2-[[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 26406608
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
(3-fluoro-4-phenylphenyl)-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 25490028
1-[4-[3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 45206143
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-fluoro-4-phenylphenyl)methanone
CID 25283984
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691
(3-fluoro-4-phenylphenyl)-[(3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone
CID 42241584
3-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-N-methylpropanamide
CID 95525253
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide (CID 45241693) is N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide?
The InChIKey is YCZOTNUNNHVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-18-8-6-9-19(2)25(18)29-27(32)30-15-7-12-22(17-30)26(31)21-13-14-23(24(28)16-21)20-10-4-3-5-11-20/h3-6,8-11,13-14,16,22H,7,12,15,17H2,1-2H3,(H,29,32).
What are the key properties of N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide?
N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(3-fluoro-4-phenylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 45241693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).