N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C18H26N4O4S — CID 39999738

IUPACN-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C18H26N4O4S/c1-3-10-21-15-6-4-5-7-16(15)22(18(21)24)13-17(23)19-14-8-11-20(12-9-14)27(2,25)26/h4-7,14H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyWWXCZMZJUOIPIZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.75
Rot. Bonds6

About N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 39999738) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID39999738
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C18H26N4O4S/c1-3-10-21-15-6-4-5-7-16(15)22(18(21)24)13-17(23)19-14-8-11-20(12-9-14)27(2,25)26/h4-7,14H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyWWXCZMZJUOIPIZ-UHFFFAOYSA-N
XLogP0.75
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035376
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 37032041
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 39999738) is N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is WWXCZMZJUOIPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-3-10-21-15-6-4-5-7-16(15)22(18(21)24)13-17(23)19-14-8-11-20(12-9-14)27(2,25)26/h4-7,14H,3,8-13H2,1-2H3,(H,19,23).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 39999738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).