2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide

C16H22N4O2 — CID 75461619

IUPAC2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESCn1c(=O)n(CN2CCC(CC(N)=O)CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-18-13-4-2-3-5-14(13)20(16(18)22)11-19-8-6-12(7-9-19)10-15(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)
InChIKeyBMPDERGDUFEOSM-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.88
Rot. Bonds4

About 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide

2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 75461619) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide
PubChem CID75461619
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide
SMILESCn1c(=O)n(CN2CCC(CC(N)=O)CC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-18-13-4-2-3-5-14(13)20(16(18)22)11-19-8-6-12(7-9-19)10-15(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)
InChIKeyBMPDERGDUFEOSM-UHFFFAOYSA-N
XLogP0.88
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide (CID 75461619) is 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide is Cn1c(=O)n(CN2CCC(CC(N)=O)CC2)c2ccccc21.
What is the InChIKey of 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is BMPDERGDUFEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-13-4-2-3-5-14(13)20(16(18)22)11-19-8-6-12(7-9-19)10-15(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21).
What are the key properties of 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 75461619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).