4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C18H24F3N3O3 — CID 127145276

IUPAC4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O3/c1-2-3-7-16(25)22-13-8-10-24(11-9-13)17(26)23-14-5-4-6-15(12-14)27-18(19,20)21/h4-6,12-13H,2-3,7-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyKMWDFKAIXQAVKI-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.89
Rot. Bonds6

About 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 127145276) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID127145276
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCCCCC(=O)NC1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O3/c1-2-3-7-16(25)22-13-8-10-24(11-9-13)17(26)23-14-5-4-6-15(12-14)27-18(19,20)21/h4-6,12-13H,2-3,7-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyKMWDFKAIXQAVKI-UHFFFAOYSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 127145276) is 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is CCCCC(=O)NC1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is KMWDFKAIXQAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-2-3-7-16(25)22-13-8-10-24(11-9-13)17(26)23-14-5-4-6-15(12-14)27-18(19,20)21/h4-6,12-13H,2-3,7-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 127145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).