N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H27F3N2O3 — CID 24817290

IUPACN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H27F3N2O3/c22-21(23,24)17-6-4-5-15(11-17)12-26-13-16(7-8-18(26)27)19(28)25-14-20(29)9-2-1-3-10-20/h4-6,11,16,29H,1-3,7-10,12-14H2,(H,25,28)
InChIKeyOGSBXCHSZAYRAZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.26
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24817290) has the molecular formula C21H27F3N2O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24817290
Molecular FormulaC21H27F3N2O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H27F3N2O3/c22-21(23,24)17-6-4-5-15(11-17)12-26-13-16(7-8-18(26)27)19(28)25-14-20(29)9-2-1-3-10-20/h4-6,11,16,29H,1-3,7-10,12-14H2,(H,25,28)
InChIKeyOGSBXCHSZAYRAZ-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24817290) is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCC1(O)CCCCC1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OGSBXCHSZAYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O3/c22-21(23,24)17-6-4-5-15(11-17)12-26-13-16(7-8-18(26)27)19(28)25-14-20(29)9-2-1-3-10-20/h4-6,11,16,29H,1-3,7-10,12-14H2,(H,25,28).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).