3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide

C15H28F2N2O3 — CID 90075057

IUPAC3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCCCO)C(CCCCO)C(C(F)F)C1
InChIInChI=1S/C15H28F2N2O3/c16-14(17)13-10-19(15(18)22)9-11(5-1-3-7-20)12(13)6-2-4-8-21/h11-14,20-21H,1-10H2,(H2,18,22)
InChIKeyYVHZVHIYJNSFOG-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.82
Rot. Bonds9

About 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide

3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide (PubChem CID 90075057) has the molecular formula C15H28F2N2O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide
PubChem CID90075057
Molecular FormulaC15H28F2N2O3
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Name3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCCCO)C(CCCCO)C(C(F)F)C1
InChIInChI=1S/C15H28F2N2O3/c16-14(17)13-10-19(15(18)22)9-11(5-1-3-7-20)12(13)6-2-4-8-21/h11-14,20-21H,1-10H2,(H2,18,22)
InChIKeyYVHZVHIYJNSFOG-UHFFFAOYSA-N
XLogP1.82
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
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 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide (CID 90075057) is 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide is NC(=O)N1CC(CCCCO)C(CCCCO)C(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide?
The InChIKey is YVHZVHIYJNSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O3/c16-14(17)13-10-19(15(18)22)9-11(5-1-3-7-20)12(13)6-2-4-8-21/h11-14,20-21H,1-10H2,(H2,18,22).
What are the key properties of 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide?
3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,5-bis(4-hydroxybutyl)piperidine-1-carboxamide is sourced from PubChem (CID 90075057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).