N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

C27H27FN2O4 — CID 42868424

IUPACN-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc(OC)c1
InChIInChI=1S/C27H27FN2O4/c1-33-24-13-23(14-25(15-24)34-2)29-26(31)21-11-20(18-7-4-3-5-8-18)16-30(17-21)27(32)19-9-6-10-22(28)12-19/h3-10,12-15,20-21H,11,16-17H2,1-2H3,(H,29,31)
InChIKeyGEERAFSWNTWDCL-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.73
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42868424) has the molecular formula C27H27FN2O4 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42868424
Molecular FormulaC27H27FN2O4
Molecular Weight462.52 g/mol
Exact Mass462.20
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CC(c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc(OC)c1
InChIInChI=1S/C27H27FN2O4/c1-33-24-13-23(14-25(15-24)34-2)29-26(31)21-11-20(18-7-4-3-5-8-18)16-30(17-21)27(32)19-9-6-10-22(28)12-19/h3-10,12-15,20-21H,11,16-17H2,1-2H3,(H,29,31)
InChIKeyGEERAFSWNTWDCL-UHFFFAOYSA-N
XLogP4.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995242
(3R,5R)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995239
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (CID 42868424) is N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is COc1cc(NC(=O)C2CC(c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is GEERAFSWNTWDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O4/c1-33-24-13-23(14-25(15-24)34-2)29-26(31)21-11-20(18-7-4-3-5-8-18)16-30(17-21)27(32)19-9-6-10-22(28)12-19/h3-10,12-15,20-21H,11,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).