(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide

C28H29FN2O3 — CID 92995242

IUPAC(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc1
InChIInChI=1S/C28H29FN2O3/c1-34-26-12-10-20(11-13-26)14-15-30-27(32)24-16-23(21-6-3-2-4-7-21)18-31(19-24)28(33)22-8-5-9-25(29)17-22/h2-13,17,23-24H,14-16,18-19H2,1H3,(H,30,32)/t23-,24+/m1/s1
InChIKeyDMIRFUCLGSHZFN-RPWUZVMVSA-N
MW460.55 g/mol
LogP4.44
Rot. Bonds7

About (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide

(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide (PubChem CID 92995242) has the molecular formula C28H29FN2O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
PubChem CID92995242
Molecular FormulaC28H29FN2O3
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC Name(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc1
InChIInChI=1S/C28H29FN2O3/c1-34-26-12-10-20(11-13-26)14-15-30-27(32)24-16-23(21-6-3-2-4-7-21)18-31(19-24)28(33)22-8-5-9-25(29)17-22/h2-13,17,23-24H,14-16,18-19H2,1H3,(H,30,32)/t23-,24+/m1/s1
InChIKeyDMIRFUCLGSHZFN-RPWUZVMVSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995239
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994806
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
(3S,5S)-5-(4-fluoro-3-methylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92996949
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide (CID 92995242) is (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide is COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)cc1.
What is the InChIKey of (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The InChIKey is DMIRFUCLGSHZFN-RPWUZVMVSA-N. The full InChI is InChI=1S/C28H29FN2O3/c1-34-26-12-10-20(11-13-26)14-15-30-27(32)24-16-23(21-6-3-2-4-7-21)18-31(19-24)28(33)22-8-5-9-25(29)17-22/h2-13,17,23-24H,14-16,18-19H2,1H3,(H,30,32)/t23-,24+/m1/s1.
What are the key properties of (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92995242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).