2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide

C21H22FN3O — CID 95785842

IUPAC2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESN#C[C@@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H22FN3O/c22-17-9-6-10-18(13-17)24-21(26)15-25-12-5-4-11-20(25)19(14-23)16-7-2-1-3-8-16/h1-3,6-10,13,19-20H,4-5,11-12,15H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyFHPABCBPODTRGR-VQTJNVASSA-N
MW351.43 g/mol
LogP3.93
Rot. Bonds5

About 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide

2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 95785842) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID95785842
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESN#C[C@@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H22FN3O/c22-17-9-6-10-18(13-17)24-21(26)15-25-12-5-4-11-20(25)19(14-23)16-7-2-1-3-8-16/h1-3,6-10,13,19-20H,4-5,11-12,15H2,(H,24,26)/t19-,20+/m0/s1
InChIKeyFHPABCBPODTRGR-VQTJNVASSA-N
XLogP3.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63855022
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide
CID 47092399
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(3-ethylphenyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106782
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 95785842) is 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide is N#C[C@@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is FHPABCBPODTRGR-VQTJNVASSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-17-9-6-10-18(13-17)24-21(26)15-25-12-5-4-11-20(25)19(14-23)16-7-2-1-3-8-16/h1-3,6-10,13,19-20H,4-5,11-12,15H2,(H,24,26)/t19-,20+/m0/s1.
What are the key properties of 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 95785842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).