N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium

C14H26F2N2O2V — CID 154670292

IUPACN-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium
SMILESCC(C)C(=O)NC1CCN(CCCCCO)CC1(F)F.[V]
InChIInChI=1S/C14H26F2N2O2.V/c1-11(2)13(20)17-12-6-8-18(10-14(12,15)16)7-4-3-5-9-19;/h11-12,19H,3-10H2,1-2H3,(H,17,20);
InChIKeyGGLUJPHGDIYAFO-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.63
Rot. Bonds7

About N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium

N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium (PubChem CID 154670292) has the molecular formula C14H26F2N2O2V and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium
PubChem CID154670292
Molecular FormulaC14H26F2N2O2V
Molecular Weight343.31 g/mol
Exact Mass343.14
IUPAC NameN-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium
SMILESCC(C)C(=O)NC1CCN(CCCCCO)CC1(F)F.[V]
InChIInChI=1S/C14H26F2N2O2.V/c1-11(2)13(20)17-12-6-8-18(10-14(12,15)16)7-4-3-5-9-19;/h11-12,19H,3-10H2,1-2H3,(H,17,20);
InChIKeyGGLUJPHGDIYAFO-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.63
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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Related Compounds

N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]-3-hydroxy-2,2-dimethylpropanamide
CID 164641902
2,2,2-Trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
CID 59815617
N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide
CID 154670178
N-[1-(5-ethoxypentyl)-3-fluoropiperidin-4-yl]-2-methylpropanamide
CID 154670228
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane
CID 154670627
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 154671310
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
CID 166466836
N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 166466896
1-[4-[(2,2-Difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone
CID 104857925
N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 109479073
2,2,2-trifluoro-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]acetamide
CID 109966517
2,2,2-trifluoro-N-[3-[5-(hydroxymethyl)-2-methylpiperidin-1-yl]propyl]acetamide
CID 109967286

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium?
The IUPAC name of N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium (CID 154670292) is N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium.
What is the SMILES notation for N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium?
The canonical SMILES for N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium is CC(C)C(=O)NC1CCN(CCCCCO)CC1(F)F.[V].
What is the InChIKey of N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium?
The InChIKey is GGLUJPHGDIYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2.V/c1-11(2)13(20)17-12-6-8-18(10-14(12,15)16)7-4-3-5-9-19;/h11-12,19H,3-10H2,1-2H3,(H,17,20);.
What are the key properties of N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium?
N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium has a molecular weight of 343.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium is sourced from PubChem (CID 154670292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).