1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C24H27F3N2O3 — CID 86955595

IUPAC1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)C2CCC(=O)N(C)C2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H27F3N2O3/c1-15(2)32-19-6-4-5-16(13-19)14-28-23(31)20-11-12-21(30)29(3)22(20)17-7-9-18(10-8-17)24(25,26)27/h4-10,13,15,20,22H,11-12,14H2,1-3H3,(H,28,31)
InChIKeyYTVRMXJNZINFTN-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.72
Rot. Bonds6

About 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 86955595) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID86955595
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)C2CCC(=O)N(C)C2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H27F3N2O3/c1-15(2)32-19-6-4-5-16(13-19)14-28-23(31)20-11-12-21(30)29(3)22(20)17-7-9-18(10-8-17)24(25,26)27/h4-10,13,15,20,22H,11-12,14H2,1-3H3,(H,28,31)
InChIKeyYTVRMXJNZINFTN-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 86955595) is 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CC(C)Oc1cccc(CNC(=O)C2CCC(=O)N(C)C2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YTVRMXJNZINFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-15(2)32-19-6-4-5-16(13-19)14-28-23(31)20-11-12-21(30)29(3)22(20)17-7-9-18(10-8-17)24(25,26)27/h4-10,13,15,20,22H,11-12,14H2,1-3H3,(H,28,31).
What are the key properties of 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 86955595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).