N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide

C19H29FN4O3S — CID 78842204

IUPACN-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C19H29FN4O3S/c1-15(22-9-7-17(8-10-22)21-28(2,26)27)19(25)24-13-11-23(12-14-24)18-5-3-16(20)4-6-18/h3-6,15,17,21H,7-14H2,1-2H3
InChIKeyYSNHEOGFYZQNBW-UHFFFAOYSA-N
MW412.53 g/mol
LogP0.88
Rot. Bonds5

About N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 78842204) has the molecular formula C19H29FN4O3S and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID78842204
Molecular FormulaC19H29FN4O3S
Molecular Weight412.53 g/mol
Exact Mass412.19
IUPAC NameN-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C19H29FN4O3S/c1-15(22-9-7-17(8-10-22)21-28(2,26)27)19(25)24-13-11-23(12-14-24)18-5-3-16(20)4-6-18/h3-6,15,17,21H,7-14H2,1-2H3
InChIKeyYSNHEOGFYZQNBW-UHFFFAOYSA-N
XLogP0.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119380573
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide (CID 78842204) is N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is YSNHEOGFYZQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O3S/c1-15(22-9-7-17(8-10-22)21-28(2,26)27)19(25)24-13-11-23(12-14-24)18-5-3-16(20)4-6-18/h3-6,15,17,21H,7-14H2,1-2H3.
What are the key properties of N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 412.53 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 78842204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).