N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide

C21H27F3N4O — CID 143229364

IUPACN-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
SMILESN#CC1CCC(N(C=O)CCC2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1
InChIInChI=1S/C21H27F3N4O/c22-21(23,24)18-5-8-20(26-13-18)27-10-1-2-17(14-27)9-11-28(15-29)19-6-3-16(12-25)4-7-19/h5,8,13,15-17,19H,1-4,6-7,9-11,14H2
InChIKeyDWGFNDUJAHAZCR-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.25
Rot. Bonds6

About N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide

N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide (PubChem CID 143229364) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
PubChem CID143229364
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC NameN-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
SMILESN#CC1CCC(N(C=O)CCC2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1
InChIInChI=1S/C21H27F3N4O/c22-21(23,24)18-5-8-20(26-13-18)27-10-1-2-17(14-27)9-11-28(15-29)19-6-3-16(12-25)4-7-19/h5,8,13,15-17,19H,1-4,6-7,9-11,14H2
InChIKeyDWGFNDUJAHAZCR-UHFFFAOYSA-N
XLogP4.25
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[2-[1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-3-yl]ethyl]formamide
CID 143229564
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
N-(3-methylhex-5-en-3-yl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229354
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
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-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 29025995
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The IUPAC name of N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide (CID 143229364) is N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide is N#CC1CCC(N(C=O)CCC2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
The InChIKey is DWGFNDUJAHAZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c22-21(23,24)18-5-8-20(26-13-18)27-10-1-2-17(14-27)9-11-28(15-29)19-6-3-16(12-25)4-7-19/h5,8,13,15-17,19H,1-4,6-7,9-11,14H2.
What are the key properties of N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide?
N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide has a molecular weight of 408.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-N-[2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide is sourced from PubChem (CID 143229364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).