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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229364
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol
CID 143229829
N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide
CID 143229564
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391

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).