1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide

C27H27FN2O3 — CID 55890602

IUPAC1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H27FN2O3/c1-19-7-12-24(25(17-19)33-18-20-5-3-2-4-6-20)29-26(31)21-13-15-30(16-14-21)27(32)22-8-10-23(28)11-9-22/h2-12,17,21H,13-16,18H2,1H3,(H,29,31)
InChIKeyREJGUFOAKZIHBF-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.20
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide (PubChem CID 55890602) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
PubChem CID55890602
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H27FN2O3/c1-19-7-12-24(25(17-19)33-18-20-5-3-2-4-6-20)29-26(31)21-13-15-30(16-14-21)27(32)22-8-10-23(28)11-9-22/h2-12,17,21H,13-16,18H2,1H3,(H,29,31)
InChIKeyREJGUFOAKZIHBF-UHFFFAOYSA-N
XLogP5.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
N-(4-bromo-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223908
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide (CID 55890602) is 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is REJGUFOAKZIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3/c1-19-7-12-24(25(17-19)33-18-20-5-3-2-4-6-20)29-26(31)21-13-15-30(16-14-21)27(32)22-8-10-23(28)11-9-22/h2-12,17,21H,13-16,18H2,1H3,(H,29,31).
What are the key properties of 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(4-methyl-2-phenylmethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).