N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

C19H29FN2O3S — CID 113140354

IUPACN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H29FN2O3S/c1-3-18-6-4-5-13-22(18)19(23)12-15-21(26(2,24)25)14-11-16-7-9-17(20)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyJBTIHQIFPKOLGO-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.81
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 113140354) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID113140354
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H29FN2O3S/c1-3-18-6-4-5-13-22(18)19(23)12-15-21(26(2,24)25)14-11-16-7-9-17(20)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyJBTIHQIFPKOLGO-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164380
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
N-(4-acetylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145419
N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146987
N-(2,3-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142610
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113164856
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 110649365
N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
CID 146144537
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (CID 113140354) is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is CCC1CCCCN1C(=O)CCN(CCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is JBTIHQIFPKOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-3-18-6-4-5-13-22(18)19(23)12-15-21(26(2,24)25)14-11-16-7-9-17(20)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3.
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 384.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 113140354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).