N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide

C23H30N6O2 — CID 110085749

IUPACN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4ccn(C(C)C)n4)C3)ccc21
InChIInChI=1S/C23H30N6O2/c1-5-27-15-24-19-13-17(7-8-20(19)27)25-22(31)23(4)10-6-11-28(14-23)21(30)18-9-12-29(26-18)16(2)3/h7-9,12-13,15-16H,5-6,10-11,14H2,1-4H3,(H,25,31)
InChIKeyBHESFBMSJZAFDI-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.71
Rot. Bonds5

About N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide

N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 110085749) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID110085749
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4ccn(C(C)C)n4)C3)ccc21
InChIInChI=1S/C23H30N6O2/c1-5-27-15-24-19-13-17(7-8-20(19)27)25-22(31)23(4)10-6-11-28(14-23)21(30)18-9-12-29(26-18)16(2)3/h7-9,12-13,15-16H,5-6,10-11,14H2,1-4H3,(H,25,31)
InChIKeyBHESFBMSJZAFDI-UHFFFAOYSA-N
XLogP3.71
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide (CID 110085749) is N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide is CCn1cnc2cc(NC(=O)C3(C)CCCN(C(=O)c4ccn(C(C)C)n4)C3)ccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is BHESFBMSJZAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-5-27-15-24-19-13-17(7-8-20(19)27)25-22(31)23(4)10-6-11-28(14-23)21(30)18-9-12-29(26-18)16(2)3/h7-9,12-13,15-16H,5-6,10-11,14H2,1-4H3,(H,25,31).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide?
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.71, 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)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110085749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).