N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide

C17H21Cl2F3N4O — CID 58504673

IUPACN-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC(C(F)(F)F)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C17H21Cl2F3N4O/c18-13-8-14(25-16(19)24-13)26-9-10(6-7-12(26)17(20,21)22)15(27)23-11-4-2-1-3-5-11/h8,10-12H,1-7,9H2,(H,23,27)
InChIKeyCQHCYAHWAWWPRH-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.38
Rot. Bonds3

About N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide

N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 58504673) has the molecular formula C17H21Cl2F3N4O and a molecular weight of 425.28 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID58504673
Molecular FormulaC17H21Cl2F3N4O
Molecular Weight425.28 g/mol
Exact Mass424.10
IUPAC NameN-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC(C(F)(F)F)N(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C17H21Cl2F3N4O/c18-13-8-14(25-16(19)24-13)26-9-10(6-7-12(26)17(20,21)22)15(27)23-11-4-2-1-3-5-11/h8,10-12H,1-7,9H2,(H,23,27)
InChIKeyCQHCYAHWAWWPRH-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide (CID 58504673) is N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCC(C(F)(F)F)N(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is CQHCYAHWAWWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2F3N4O/c18-13-8-14(25-16(19)24-13)26-9-10(6-7-12(26)17(20,21)22)15(27)23-11-4-2-1-3-5-11/h8,10-12H,1-7,9H2,(H,23,27).
What are the key properties of N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide?
N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 425.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,6-dichloropyrimidin-4-yl)-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 58504673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).