(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C17H24N4O3S — CID 90513536

IUPAC(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H24N4O3S/c22-17(14-11-21(12-14)25(23,24)16-4-5-16)20-9-7-19(8-10-20)13-15-3-1-2-6-18-15/h1-3,6,14,16H,4-5,7-13H2
InChIKeyDLXNVKPJWVXFHO-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.15
Rot. Bonds5

About (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90513536) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID90513536
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H24N4O3S/c22-17(14-11-21(12-14)25(23,24)16-4-5-16)20-9-7-19(8-10-20)13-15-3-1-2-6-18-15/h1-3,6,14,16H,4-5,7-13H2
InChIKeyDLXNVKPJWVXFHO-UHFFFAOYSA-N
XLogP0.15
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
5-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 171686094
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447550
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357857
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 90513536) is (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DLXNVKPJWVXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c22-17(14-11-21(12-14)25(23,24)16-4-5-16)20-9-7-19(8-10-20)13-15-3-1-2-6-18-15/h1-3,6,14,16H,4-5,7-13H2.
What are the key properties of (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 364.47 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90513536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).