N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C15H25F3N2O3 — CID 84598327

IUPACN-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c16-15(17,18)14(22)6-9-20(10-7-14)13(21)19-8-3-11-23-12-4-1-2-5-12/h12,22H,1-11H2,(H,19,21)
InChIKeyVRCUGPNIRVWVAS-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.43
Rot. Bonds5

About N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 84598327) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID84598327
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC NameN-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c16-15(17,18)14(22)6-9-20(10-7-14)13(21)19-8-3-11-23-12-4-1-2-5-12/h12,22H,1-11H2,(H,19,21)
InChIKeyVRCUGPNIRVWVAS-UHFFFAOYSA-N
XLogP2.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
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-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 84598327) is N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCCCOC1CCCC1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is VRCUGPNIRVWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c16-15(17,18)14(22)6-9-20(10-7-14)13(21)19-8-3-11-23-12-4-1-2-5-12/h12,22H,1-11H2,(H,19,21).
What are the key properties of N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84598327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).