(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone

C20H34N4O4S — CID 55853034

IUPAC(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3c(C)noc3C)CC2)CC1
InChIInChI=1S/C20H34N4O4S/c1-4-5-14-29(26,27)24-8-6-18(7-9-24)20(25)23-12-10-22(11-13-23)15-19-16(2)21-28-17(19)3/h18H,4-15H2,1-3H3
InChIKeySQJGQTXCQRNYTB-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.78
Rot. Bonds7

About (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone

(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55853034) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID55853034
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3c(C)noc3C)CC2)CC1
InChIInChI=1S/C20H34N4O4S/c1-4-5-14-29(26,27)24-8-6-18(7-9-24)20(25)23-12-10-22(11-13-23)15-19-16(2)21-28-17(19)3/h18H,4-15H2,1-3H3
InChIKeySQJGQTXCQRNYTB-UHFFFAOYSA-N
XLogP1.78
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134701430
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110646581
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 112827228
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 55718864
1-[4-(1-propylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003864

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone (CID 55853034) is (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone is CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3c(C)noc3C)CC2)CC1.
What is the InChIKey of (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is SQJGQTXCQRNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-4-5-14-29(26,27)24-8-6-18(7-9-24)20(25)23-12-10-22(11-13-23)15-19-16(2)21-28-17(19)3/h18H,4-15H2,1-3H3.
What are the key properties of (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone?
(1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 426.58 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-4-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55853034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).