[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C22H28N4O3S — CID 55447550

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H28N4O3S/c27-22(25-16-14-24(15-17-25)18-19-8-4-6-12-23-19)21-11-5-7-13-26(21)30(28,29)20-9-2-1-3-10-20/h1-4,6,8-10,12,21H,5,7,11,13-18H2
InChIKeyASLMYWHAHANYMD-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.97
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55447550) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID55447550
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H28N4O3S/c27-22(25-16-14-24(15-17-25)18-19-8-4-6-12-23-19)21-11-5-7-13-26(21)30(28,29)20-9-2-1-3-10-20/h1-4,6,8-10,12,21H,5,7,11,13-18H2
InChIKeyASLMYWHAHANYMD-UHFFFAOYSA-N
XLogP1.97
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 1190427
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90513536
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 55447550) is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ASLMYWHAHANYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c27-22(25-16-14-24(15-17-25)18-19-8-4-6-12-23-19)21-11-5-7-13-26(21)30(28,29)20-9-2-1-3-10-20/h1-4,6,8-10,12,21H,5,7,11,13-18H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 428.56 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55447550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).