N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide

C20H27F4N3O — CID 143229533

IUPACN-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2nccc(C(F)(F)F)c2F)C1)C1CCCCC1
InChIInChI=1S/C20H27F4N3O/c21-18-17(20(22,23)24)8-10-25-19(18)26-11-4-5-15(13-26)9-12-27(14-28)16-6-2-1-3-7-16/h8,10,14-16H,1-7,9,11-13H2
InChIKeyFFSOWLCQFTWBMK-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.64
Rot. Bonds6

About N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide

N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide (PubChem CID 143229533) has the molecular formula C20H27F4N3O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
PubChem CID143229533
Molecular FormulaC20H27F4N3O
Molecular Weight401.45 g/mol
Exact Mass401.21
IUPAC NameN-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
SMILESO=CN(CCC1CCCN(c2nccc(C(F)(F)F)c2F)C1)C1CCCCC1
InChIInChI=1S/C20H27F4N3O/c21-18-17(20(22,23)24)8-10-25-19(18)26-11-4-5-15(13-26)9-12-27(14-28)16-6-2-1-3-7-16/h8,10,14-16H,1-7,9,11-13H2
InChIKeyFFSOWLCQFTWBMK-UHFFFAOYSA-N
XLogP4.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The IUPAC name of N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide (CID 143229533) is N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The canonical SMILES for N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide is O=CN(CCC1CCCN(c2nccc(C(F)(F)F)c2F)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The InChIKey is FFSOWLCQFTWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F4N3O/c21-18-17(20(22,23)24)8-10-25-19(18)26-11-4-5-15(13-26)9-12-27(14-28)16-6-2-1-3-7-16/h8,10,14-16H,1-7,9,11-13H2.
What are the key properties of N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide has a molecular weight of 401.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide is sourced from PubChem (CID 143229533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).