(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone

C15H24N4O4S — CID 129009244

IUPAC(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(CS(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C15H24N4O4S/c1-17-11-14(9-16-17)15(20)18-4-2-3-13(10-18)12-24(21,22)19-5-7-23-8-6-19/h9,11,13H,2-8,10,12H2,1H3
InChIKeySWIOKKFKUIBHQG-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.07
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 129009244) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID129009244
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(CS(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C15H24N4O4S/c1-17-11-14(9-16-17)15(20)18-4-2-3-13(10-18)12-24(21,22)19-5-7-23-8-6-19/h9,11,13H,2-8,10,12H2,1H3
InChIKeySWIOKKFKUIBHQG-UHFFFAOYSA-N
XLogP-0.07
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 125422091
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271658
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125422114
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 124877286
[6-[(4-fluorophenyl)methyl]-1,4-oxazepan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102604337
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone (CID 129009244) is (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC(CS(=O)(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is SWIOKKFKUIBHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-17-11-14(9-16-17)15(20)18-4-2-3-13(10-18)12-24(21,22)19-5-7-23-8-6-19/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 356.45 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129009244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).