N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C19H27FN2O4S — CID 91906122

IUPACN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O4S/c1-2-19(23)22(17-9-13-26-14-10-17)16-7-11-21(12-8-16)27(24,25)18-5-3-15(20)4-6-18/h3-6,16-17H,2,7-14H2,1H3
InChIKeyHNQNAMAKIFOTFV-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906122) has the molecular formula C19H27FN2O4S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906122
Molecular FormulaC19H27FN2O4S
Molecular Weight398.50 g/mol
Exact Mass398.17
IUPAC NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O4S/c1-2-19(23)22(17-9-13-26-14-10-17)16-7-11-21(12-8-16)27(24,25)18-5-3-15(20)4-6-18/h3-6,16-17H,2,7-14H2,1H3
InChIKeyHNQNAMAKIFOTFV-UHFFFAOYSA-N
XLogP2.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906122) is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is HNQNAMAKIFOTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4S/c1-2-19(23)22(17-9-13-26-14-10-17)16-7-11-21(12-8-16)27(24,25)18-5-3-15(20)4-6-18/h3-6,16-17H,2,7-14H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).