(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C16H26N4O3S — CID 52906708

IUPAC(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)20-11-5-15(6-12-20)16(21)18-9-3-14(4-10-18)13-19-8-2-7-17-19/h2,7-8,14-15H,3-6,9-13H2,1H3
InChIKeyHTOHGRXDFCSRBN-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.79
Rot. Bonds4

About (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 52906708) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID52906708
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)20-11-5-15(6-12-20)16(21)18-9-3-14(4-10-18)13-19-8-2-7-17-19/h2,7-8,14-15H,3-6,9-13H2,1H3
InChIKeyHTOHGRXDFCSRBN-UHFFFAOYSA-N
XLogP0.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
(1-methylsulfonylpiperidin-4-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
CID 71800707
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495302
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 52906708) is (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3cccn3)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HTOHGRXDFCSRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-24(22,23)20-11-5-15(6-12-20)16(21)18-9-3-14(4-10-18)13-19-8-2-7-17-19/h2,7-8,14-15H,3-6,9-13H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 52906708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).