N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide

C20H25F2N5O — CID 134218714

IUPACN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C20H25F2N5O/c21-14-6-7-19(17(22)12-14)27-13-18(24-25-27)20(28)23-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,23,28)
InChIKeyLXPUDIQBEGHYOY-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.07
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide (PubChem CID 134218714) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
PubChem CID134218714
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C20H25F2N5O/c21-14-6-7-19(17(22)12-14)27-13-18(24-25-27)20(28)23-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,23,28)
InChIKeyLXPUDIQBEGHYOY-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide (CID 134218714) is N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1)c1cn(-c2ccc(F)cc2F)nn1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide?
The InChIKey is LXPUDIQBEGHYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O/c21-14-6-7-19(17(22)12-14)27-13-18(24-25-27)20(28)23-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,23,28).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 134218714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).