N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide

C19H24F3N3O2 — CID 24818012

IUPACN-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-5-4-10-25(13-15)17(26)14-8-11-24(12-9-14)18(27)23-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,23,27)
InChIKeyNTELTYSYZWTMAJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.73
Rot. Bonds2

About N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide

N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 24818012) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID24818012
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-5-4-10-25(13-15)17(26)14-8-11-24(12-9-14)18(27)23-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,23,27)
InChIKeyNTELTYSYZWTMAJ-UHFFFAOYSA-N
XLogP3.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide (CID 24818012) is N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is NTELTYSYZWTMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)15-5-4-10-25(13-15)17(26)14-8-11-24(12-9-14)18(27)23-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,23,27).
What are the key properties of N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide?
N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 24818012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).