(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide

C24H27FN2O3 — CID 92569611

IUPAC(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H27FN2O3/c25-20-8-2-7-19(14-20)18-6-1-5-17(13-18)15-24(23(26)29)10-4-11-27(16-24)22(28)21-9-3-12-30-21/h1-2,5-8,13-14,21H,3-4,9-12,15-16H2,(H2,26,29)/t21-,24-/m0/s1
InChIKeyYBAKTSRBAJDWGF-URXFXBBRSA-N
MW410.49 g/mol
LogP3.31
Rot. Bonds5

About (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide

(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide (PubChem CID 92569611) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
PubChem CID92569611
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H27FN2O3/c25-20-8-2-7-19(14-20)18-6-1-5-17(13-18)15-24(23(26)29)10-4-11-27(16-24)22(28)21-9-3-12-30-21/h1-2,5-8,13-14,21H,3-4,9-12,15-16H2,(H2,26,29)/t21-,24-/m0/s1
InChIKeyYBAKTSRBAJDWGF-URXFXBBRSA-N
XLogP3.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569685
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92573899
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92558271
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 110232839
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 92562726
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569632
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 95848804
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide (CID 92569611) is (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is YBAKTSRBAJDWGF-URXFXBBRSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-8-2-7-19(14-20)18-6-1-5-17(13-18)15-24(23(26)29)10-4-11-27(16-24)22(28)21-9-3-12-30-21/h1-2,5-8,13-14,21H,3-4,9-12,15-16H2,(H2,26,29)/t21-,24-/m0/s1.
What are the key properties of (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92569611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).