N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide

C22H28N6O2 — CID 175656680

IUPACN-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3ccc4c(c3)ncn4CC)C2)n1
InChIInChI=1S/C22H28N6O2/c1-4-26-15-23-18-13-16(7-8-19(18)26)24-21(30)22(3)10-6-11-27(14-22)20(29)17-9-12-28(5-2)25-17/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,24,30)
InChIKeyNZZFMDCUTKEXKN-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.15
Rot. Bonds5

About N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide

N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide (PubChem CID 175656680) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
PubChem CID175656680
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3ccc4c(c3)ncn4CC)C2)n1
InChIInChI=1S/C22H28N6O2/c1-4-26-15-23-18-13-16(7-8-19(18)26)24-21(30)22(3)10-6-11-27(14-22)20(29)17-9-12-28(5-2)25-17/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,24,30)
InChIKeyNZZFMDCUTKEXKN-UHFFFAOYSA-N
XLogP3.15
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide 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 N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide (CID 175656680) is N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide is CCn1ccc(C(=O)N2CCCC(C)(C(=O)Nc3ccc4c(c3)ncn4CC)C2)n1.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is NZZFMDCUTKEXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-26-15-23-18-13-16(7-8-19(18)26)24-21(30)22(3)10-6-11-27(14-22)20(29)17-9-12-28(5-2)25-17/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,24,30).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 175656680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).