(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

C27H27FN2O2 — CID 92994806

IUPAC(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C27H27FN2O2/c28-25-14-8-7-13-24(25)27(32)30-18-22(21-11-5-2-6-12-21)17-23(19-30)26(31)29-16-15-20-9-3-1-4-10-20/h1-14,22-23H,15-19H2,(H,29,31)/t22-,23+/m1/s1
InChIKeyNKVYXBGXMHLYBB-PKTZIBPZSA-N
MW430.52 g/mol
LogP4.43
Rot. Bonds6

About (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide

(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92994806) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID92994806
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C27H27FN2O2/c28-25-14-8-7-13-24(25)27(32)30-18-22(21-11-5-2-6-12-21)17-23(19-30)26(31)29-16-15-20-9-3-1-4-10-20/h1-14,22-23H,15-19H2,(H,29,31)/t22-,23+/m1/s1
InChIKeyNKVYXBGXMHLYBB-PKTZIBPZSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
(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
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92994806) is (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is NKVYXBGXMHLYBB-PKTZIBPZSA-N. The full InChI is InChI=1S/C27H27FN2O2/c28-25-14-8-7-13-24(25)27(32)30-18-22(21-11-5-2-6-12-21)17-23(19-30)26(31)29-16-15-20-9-3-1-4-10-20/h1-14,22-23H,15-19H2,(H,29,31)/t22-,23+/m1/s1.
What are the key properties of (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide?
(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92994806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).