N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C19H27F3N4O — CID 91809844

IUPACN-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCC3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-24-16(19(20,21)22)11-17(25-13)26-9-7-15(8-10-26)18(27)23-12-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,23,27)
InChIKeyNMQRKCXDMOJHPC-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.72
Rot. Bonds4

About N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809844) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809844
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC NameN-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCC3CCCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-24-16(19(20,21)22)11-17(25-13)26-9-7-15(8-10-26)18(27)23-12-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,23,27)
InChIKeyNMQRKCXDMOJHPC-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809844) is N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NCC3CCCCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NMQRKCXDMOJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-13-24-16(19(20,21)22)11-17(25-13)26-9-7-15(8-10-26)18(27)23-12-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,23,27).
What are the key properties of N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).