4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C13H23F3N2O3 — CID 86782210

IUPAC4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-10(2)21-9-3-6-17-11(19)18-7-4-12(20,5-8-18)13(14,15)16/h10,20H,3-9H2,1-2H3,(H,17,19)
InChIKeyXCXMXCHNEMWEBW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.90
Rot. Bonds5

About 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 86782210) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID86782210
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-10(2)21-9-3-6-17-11(19)18-7-4-12(20,5-8-18)13(14,15)16/h10,20H,3-9H2,1-2H3,(H,17,19)
InChIKeyXCXMXCHNEMWEBW-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.90
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 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 86782210) is 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide is CC(C)OCCCNC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is XCXMXCHNEMWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-10(2)21-9-3-6-17-11(19)18-7-4-12(20,5-8-18)13(14,15)16/h10,20H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 86782210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).