N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C12H19F3N2O3 — CID 110344191

IUPACN-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-20-7-3-5-16-10(18)9-4-2-6-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyMVPXDMGYCMMISS-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.94
Rot. Bonds5

About N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344191) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344191
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC NameN-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-20-7-3-5-16-10(18)9-4-2-6-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeyMVPXDMGYCMMISS-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344191) is N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is MVPXDMGYCMMISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-20-7-3-5-16-10(18)9-4-2-6-17(8-9)11(19)12(13,14)15/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).