N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide

C17H30N4O3S — CID 45190169

IUPACN-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)C1
InChIInChI=1S/C17H30N4O3S/c1-13(2)10-21-16(9-19-17(21)25(4,23)24)12-20-7-5-6-15(11-20)8-18-14(3)22/h9,13,15H,5-8,10-12H2,1-4H3,(H,18,22)
InChIKeyWGJRMMYMRAGQDR-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.29
Rot. Bonds7

About N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide

N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 45190169) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
PubChem CID45190169
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC NameN-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)C1
InChIInChI=1S/C17H30N4O3S/c1-13(2)10-21-16(9-19-17(21)25(4,23)24)12-20-7-5-6-15(11-20)8-18-14(3)22/h9,13,15H,5-8,10-12H2,1-4H3,(H,18,22)
InChIKeyWGJRMMYMRAGQDR-UHFFFAOYSA-N
XLogP1.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide (CID 45190169) is N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)C1.
What is the InChIKey of N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is WGJRMMYMRAGQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-13(2)10-21-16(9-19-17(21)25(4,23)24)12-20-7-5-6-15(11-20)8-18-14(3)22/h9,13,15H,5-8,10-12H2,1-4H3,(H,18,22).
What are the key properties of N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide?
N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 370.52 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 45190169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).