N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide

C17H25FN2O3S — CID 110299788

IUPACN-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-16-9-7-15(8-10-16)14-19-17(21)6-2-5-13-24(22,23)20-11-3-1-4-12-20/h7-10H,1-6,11-14H2,(H,19,21)
InChIKeyQIDXWCMVBWDXHS-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.43
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide

N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299788) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299788
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESO=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-16-9-7-15(8-10-16)14-19-17(21)6-2-5-13-24(22,23)20-11-3-1-4-12-20/h7-10H,1-6,11-14H2,(H,19,21)
InChIKeyQIDXWCMVBWDXHS-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299793
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
N-[(4-fluorophenyl)methyl]-8-oxooctanamide
CID 90932899

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide (CID 110299788) is N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide is O=C(CCCCS(=O)(=O)N1CCCCC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is QIDXWCMVBWDXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-16-9-7-15(8-10-16)14-19-17(21)6-2-5-13-24(22,23)20-11-3-1-4-12-20/h7-10H,1-6,11-14H2,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide?
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 356.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).