(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide

C24H27FN2O3 — CID 92573899

IUPAC(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H27FN2O3/c25-20-6-2-1-5-19(20)18-10-8-17(9-11-18)15-24(23(26)29)12-4-13-27(16-24)22(28)21-7-3-14-30-21/h1-2,5-6,8-11,21H,3-4,7,12-16H2,(H2,26,29)/t21-,24-/m0/s1
InChIKeyIGNIRTPOCZWKLS-URXFXBBRSA-N
MW410.49 g/mol
LogP3.31
Rot. Bonds5

About (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide (PubChem CID 92573899) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
PubChem CID92573899
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C24H27FN2O3/c25-20-6-2-1-5-19(20)18-10-8-17(9-11-18)15-24(23(26)29)12-4-13-27(16-24)22(28)21-7-3-14-30-21/h1-2,5-6,8-11,21H,3-4,7,12-16H2,(H2,26,29)/t21-,24-/m0/s1
InChIKeyIGNIRTPOCZWKLS-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

(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591824
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903
N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110231495
ethyl 3-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(oxolane-2-carbonyl)piperidine-3-carboxylate
CID 110242675
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569685
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231777
(3R)-1-[(2R)-oxane-2-carbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579606

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide (CID 92573899) is (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is IGNIRTPOCZWKLS-URXFXBBRSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-6-2-1-5-19(20)18-10-8-17(9-11-18)15-24(23(26)29)12-4-13-27(16-24)22(28)21-7-3-14-30-21/h1-2,5-6,8-11,21H,3-4,7,12-16H2,(H2,26,29)/t21-,24-/m0/s1.
What are the key properties of (3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide?
(3S)-3-[[4-(2-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-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92573899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).