N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide

C19H36N4O3S — CID 75440326

IUPACN-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)C1
InChIInChI=1S/C19H36N4O3S/c1-16-4-3-5-17(14-16)20-19(24)15-21-10-12-22(13-11-21)18-6-8-23(9-7-18)27(2,25)26/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyJVZMQSOPMXXGEQ-UHFFFAOYSA-N
MW400.59 g/mol
LogP0.72
Rot. Bonds5

About N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide

N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 75440326) has the molecular formula C19H36N4O3S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
PubChem CID75440326
Molecular FormulaC19H36N4O3S
Molecular Weight400.59 g/mol
Exact Mass400.25
IUPAC NameN-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)C1
InChIInChI=1S/C19H36N4O3S/c1-16-4-3-5-17(14-16)20-19(24)15-21-10-12-22(13-11-21)18-6-8-23(9-7-18)27(2,25)26/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyJVZMQSOPMXXGEQ-UHFFFAOYSA-N
XLogP0.72
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide (CID 75440326) is N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide is CC1CCCC(NC(=O)CN2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is JVZMQSOPMXXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3S/c1-16-4-3-5-17(14-16)20-19(24)15-21-10-12-22(13-11-21)18-6-8-23(9-7-18)27(2,25)26/h16-18H,3-15H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide?
N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 400.59 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75440326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).