2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C22H31N5O — CID 56914258

IUPAC2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)C4CC5(CCNCC5)CN4)CC3)nc12
InChIInChI=1S/C22H31N5O/c1-15-3-2-4-17-19(15)26-20(25-17)16-5-11-27(12-6-16)21(28)18-13-22(14-24-18)7-9-23-10-8-22/h2-4,16,18,23-24H,5-14H2,1H3,(H,25,26)
InChIKeyMYKRJVIWADTIDS-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.31
Rot. Bonds2

About 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56914258) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID56914258
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)C4CC5(CCNCC5)CN4)CC3)nc12
InChIInChI=1S/C22H31N5O/c1-15-3-2-4-17-19(15)26-20(25-17)16-5-11-27(12-6-16)21(28)18-13-22(14-24-18)7-9-23-10-8-22/h2-4,16,18,23-24H,5-14H2,1H3,(H,25,26)
InChIKeyMYKRJVIWADTIDS-UHFFFAOYSA-N
XLogP2.31
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 56914258) is 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1cccc2[nH]c(C3CCN(C(=O)C4CC5(CCNCC5)CN4)CC3)nc12.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is MYKRJVIWADTIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-15-3-2-4-17-19(15)26-20(25-17)16-5-11-27(12-6-16)21(28)18-13-22(14-24-18)7-9-23-10-8-22/h2-4,16,18,23-24H,5-14H2,1H3,(H,25,26).
What are the key properties of 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56914258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).