N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C20H27F3N4O — CID 17437209

IUPACN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC(C(F)(F)F)C2)n(C2CCCC2)c1C
InChIInChI=1S/C20H27F3N4O/c1-13-14(2)27(16-7-3-4-8-16)19(17(13)10-24)25-18(28)12-26-9-5-6-15(11-26)20(21,22)23/h15-16H,3-9,11-12H2,1-2H3,(H,25,28)
InChIKeyYHOHIAYMVXVVOZ-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.30
Rot. Bonds4

About N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 17437209) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID17437209
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC(C(F)(F)F)C2)n(C2CCCC2)c1C
InChIInChI=1S/C20H27F3N4O/c1-13-14(2)27(16-7-3-4-8-16)19(17(13)10-24)25-18(28)12-26-9-5-6-15(11-26)20(21,22)23/h15-16H,3-9,11-12H2,1-2H3,(H,25,28)
InChIKeyYHOHIAYMVXVVOZ-UHFFFAOYSA-N
XLogP4.30
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 17437209) is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is Cc1c(C#N)c(NC(=O)CN2CCCC(C(F)(F)F)C2)n(C2CCCC2)c1C.
What is the InChIKey of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is YHOHIAYMVXVVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O/c1-13-14(2)27(16-7-3-4-8-16)19(17(13)10-24)25-18(28)12-26-9-5-6-15(11-26)20(21,22)23/h15-16H,3-9,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 17437209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).