(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

C26H25FN2O2 — CID 92994800

IUPAC(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C26H25FN2O2/c27-24-14-8-7-13-23(24)26(31)29-17-21(20-11-5-2-6-12-20)15-22(18-29)25(30)28-16-19-9-3-1-4-10-19/h1-14,21-22H,15-18H2,(H,28,30)/t21-,22-/m0/s1
InChIKeyTVDLXADWZHBKAX-VXKWHMMOSA-N
MW416.50 g/mol
LogP4.39
Rot. Bonds5

About (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994800) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994800
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C26H25FN2O2/c27-24-14-8-7-13-23(24)26(31)29-17-21(20-11-5-2-6-12-20)15-22(18-29)25(30)28-16-19-9-3-1-4-10-19/h1-14,21-22H,15-18H2,(H,28,30)/t21-,22-/m0/s1
InChIKeyTVDLXADWZHBKAX-VXKWHMMOSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-1-(2-fluorobenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994806
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42681083
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R)-N-[(3-bromophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082488
N-benzyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069411

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (CID 92994800) is (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is O=C(NCc1ccccc1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is TVDLXADWZHBKAX-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H25FN2O2/c27-24-14-8-7-13-23(24)26(31)29-17-21(20-11-5-2-6-12-20)15-22(18-29)25(30)28-16-19-9-3-1-4-10-19/h1-14,21-22H,15-18H2,(H,28,30)/t21-,22-/m0/s1.
What are the key properties of (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).