N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide

C13H14F3N3OS — CID 40854379

IUPACN-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)10-2-1-4-19(7-10)8-11(20)18-12-9(6-17)3-5-21-12/h3,5,10H,1-2,4,7-8H2,(H,18,20)/t10-/m0/s1
InChIKeyRKOUCHSWQZNZPQ-JTQLQIEISA-N
MW317.34 g/mol
LogP2.83
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 40854379) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID40854379
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)10-2-1-4-19(7-10)8-11(20)18-12-9(6-17)3-5-21-12/h3,5,10H,1-2,4,7-8H2,(H,18,20)/t10-/m0/s1
InChIKeyRKOUCHSWQZNZPQ-JTQLQIEISA-N
XLogP2.83
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 40854379) is N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is RKOUCHSWQZNZPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14F3N3OS/c14-13(15,16)10-2-1-4-19(7-10)8-11(20)18-12-9(6-17)3-5-21-12/h3,5,10H,1-2,4,7-8H2,(H,18,20)/t10-/m0/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 317.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 40854379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).