N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C27H37FN2O2 — CID 91504187

IUPACN-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C1CCN(CCCCCC(O)c2ccccc2F)CC1
InChIInChI=1S/C27H37FN2O2/c1-20(2)27(32)29-25-13-8-6-10-22(25)21-15-18-30(19-16-21)17-9-3-4-14-26(31)23-11-5-7-12-24(23)28/h5-8,10-13,20-21,26,31H,3-4,9,14-19H2,1-2H3,(H,29,32)
InChIKeyDXUIDNVWLRSVCA-UHFFFAOYSA-N
MW440.60 g/mol
LogP5.89
Rot. Bonds10

About N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 91504187) has the molecular formula C27H37FN2O2 and a molecular weight of 440.60 g/mol. Its IUPAC name is N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID91504187
Molecular FormulaC27H37FN2O2
Molecular Weight440.60 g/mol
Exact Mass440.28
IUPAC NameN-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1C1CCN(CCCCCC(O)c2ccccc2F)CC1
InChIInChI=1S/C27H37FN2O2/c1-20(2)27(32)29-25-13-8-6-10-22(25)21-15-18-30(19-16-21)17-9-3-4-14-26(31)23-11-5-7-12-24(23)28/h5-8,10-13,20-21,26,31H,3-4,9,14-19H2,1-2H3,(H,29,32)
InChIKeyDXUIDNVWLRSVCA-UHFFFAOYSA-N
XLogP5.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 55.89
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-[3-[1-[6-(2-fluorophenyl)-6-(2-methoxyphenoxy)hexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049398
N-[3-[1-[6-(3-acetylphenoxy)-6-(2-fluorophenyl)hexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049438
N-[5-[1-[6,6-bis(4-fluorophenyl)-5-oxohexyl]piperidin-4-yl]-2-fluorophenyl]-2-methylpropanamide
CID 142926176
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
N-[2,4-difluoro-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide;2-methylpropane
CID 143552380
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-(2-cyclopropylphenyl)-2-(2-fluorophenyl)ethanol
CID 79982321
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 91504187) is N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccccc1C1CCN(CCCCCC(O)c2ccccc2F)CC1.
What is the InChIKey of N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is DXUIDNVWLRSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O2/c1-20(2)27(32)29-25-13-8-6-10-22(25)21-15-18-30(19-16-21)17-9-3-4-14-26(31)23-11-5-7-12-24(23)28/h5-8,10-13,20-21,26,31H,3-4,9,14-19H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 440.60 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[6-(2-fluorophenyl)-6-hydroxyhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 91504187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).