1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C18H25F3N4O2 — CID 86926097

IUPAC1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NC3CCCC(C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C18H25F3N4O2/c1-27-15-5-8-22-17(24-15)25-9-6-12(7-10-25)16(26)23-14-4-2-3-13(11-14)18(19,20)21/h5,8,12-14H,2-4,6-7,9-11H2,1H3,(H,23,26)
InChIKeyNMTGUGRHHXSFMC-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 86926097) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID86926097
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NC3CCCC(C(F)(F)F)C3)CC2)n1
InChIInChI=1S/C18H25F3N4O2/c1-27-15-5-8-22-17(24-15)25-9-6-12(7-10-25)16(26)23-14-4-2-3-13(11-14)18(19,20)21/h5,8,12-14H,2-4,6-7,9-11H2,1H3,(H,23,26)
InChIKeyNMTGUGRHHXSFMC-UHFFFAOYSA-N
XLogP2.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 86926097) is 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NC3CCCC(C(F)(F)F)C3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is NMTGUGRHHXSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-27-15-5-8-22-17(24-15)25-9-6-12(7-10-25)16(26)23-14-4-2-3-13(11-14)18(19,20)21/h5,8,12-14H,2-4,6-7,9-11H2,1H3,(H,23,26).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 86926097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).