3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H29FN6O — CID 46976867

IUPAC3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCN1CCCC(Cc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C22H29FN6O/c1-14-22(15(2)28(3)27-14)26-21(30)8-10-29-9-4-5-16(13-29)11-20-24-18-7-6-17(23)12-19(18)25-20/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,24,25)(H,26,30)
InChIKeyGWLAPOYRETUPDP-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.34
Rot. Bonds6

About 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 46976867) has the molecular formula C22H29FN6O and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID46976867
Molecular FormulaC22H29FN6O
Molecular Weight412.51 g/mol
Exact Mass412.24
IUPAC Name3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)CCN1CCCC(Cc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C22H29FN6O/c1-14-22(15(2)28(3)27-14)26-21(30)8-10-29-9-4-5-16(13-29)11-20-24-18-7-6-17(23)12-19(18)25-20/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,24,25)(H,26,30)
InChIKeyGWLAPOYRETUPDP-UHFFFAOYSA-N
XLogP3.34
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide 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 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 46976867) is 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)CCN1CCCC(Cc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GWLAPOYRETUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN6O/c1-14-22(15(2)28(3)27-14)26-21(30)8-10-29-9-4-5-16(13-29)11-20-24-18-7-6-17(23)12-19(18)25-20/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,24,25)(H,26,30).
What are the key properties of 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46976867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).