N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

C18H24N4O3S — CID 51954491

IUPACN-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)20-12-16-4-2-10-21(13-16)18(23)17-7-5-15(6-8-17)14-22-11-3-9-19-22/h3,5-9,11,16,20H,2,4,10,12-14H2,1H3/t16-/m0/s1
InChIKeyKEYNSLXTMXDTKW-INIZCTEOSA-N
MW376.48 g/mol
LogP1.33
Rot. Bonds6

About N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 51954491) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID51954491
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)20-12-16-4-2-10-21(13-16)18(23)17-7-5-15(6-8-17)14-22-11-3-9-19-22/h3,5-9,11,16,20H,2,4,10,12-14H2,1H3/t16-/m0/s1
InChIKeyKEYNSLXTMXDTKW-INIZCTEOSA-N
XLogP1.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100842649
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
N-[[1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044267
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
N-[[(3S)-1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 52519272
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124695746
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 51954491) is N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is KEYNSLXTMXDTKW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)20-12-16-4-2-10-21(13-16)18(23)17-7-5-15(6-8-17)14-22-11-3-9-19-22/h3,5-9,11,16,20H,2,4,10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 51954491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).