(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C16H26N4O4S — CID 91916389

IUPAC(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cn1
InChIInChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)24-15-5-9-20(10-6-15)25(2,22)23/h11-12,14-15H,3-10H2,1-2H3
InChIKeyZBJATUKPRAPWMU-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.47
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916389) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916389
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cn1
InChIInChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)24-15-5-9-20(10-6-15)25(2,22)23/h11-12,14-15H,3-10H2,1-2H3
InChIKeyZBJATUKPRAPWMU-UHFFFAOYSA-N
XLogP0.47
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
CID 91916236
[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916235
N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
CID 176629560
N-[3-(1-iodopiperidin-4-yl)oxypropyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 176933003
(1-Methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 36576640
(1-Methylpyrazol-4-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 46981611
(1-Methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305547
1-ethyl-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-1H-pyrazole-4-carboxamide
CID 56906405
1-isopropyl-N-{[4-(methylsulfonyl)-2-morpholinyl]methyl}-1H-pyrazole-4-carboxamide
CID 70725017
N-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}methanesulfonamide
CID 70780426
(1-Tert-butylpyrazol-4-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473948

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916389) is (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(OC3CCN(S(C)(=O)=O)CC3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is ZBJATUKPRAPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)24-15-5-9-20(10-6-15)25(2,22)23/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 0.47, 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)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).