N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide

C18H18FN3OS — CID 124554345

IUPACN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESN#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)c(F)c1
InChIInChI=1S/C18H18FN3OS/c19-16-8-13(10-20)3-4-17(16)22-6-1-2-15(11-22)21-18(23)9-14-5-7-24-12-14/h3-5,7-8,12,15H,1-2,6,9,11H2,(H,21,23)/t15-/m1/s1
InChIKeyGFXLTWNSVBJRHF-OAHLLOKOSA-N
MW343.43 g/mol
LogP3.09
Rot. Bonds4

About N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide

N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 124554345) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID124554345
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESN#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)c(F)c1
InChIInChI=1S/C18H18FN3OS/c19-16-8-13(10-20)3-4-17(16)22-6-1-2-15(11-22)21-18(23)9-14-5-7-24-12-14/h3-5,7-8,12,15H,1-2,6,9,11H2,(H,21,23)/t15-/m1/s1
InChIKeyGFXLTWNSVBJRHF-OAHLLOKOSA-N
XLogP3.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
CID 95239331
ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
CID 95306784
N-[2-[[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407585
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
N-[(3S)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 95239326
4-[[[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]amino]methyl]-N-methylbenzamide
CID 119127906
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[1-[4-cyano-2-(trifluoromethyl)phenyl]piperidin-3-yl]-2-methylpropanamide
CID 133354616
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide (CID 124554345) is N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide is N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)c(F)c1.
What is the InChIKey of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is GFXLTWNSVBJRHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-16-8-13(10-20)3-4-17(16)22-6-1-2-15(11-22)21-18(23)9-14-5-7-24-12-14/h3-5,7-8,12,15H,1-2,6,9,11H2,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 343.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 124554345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).