2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide

C21H26N6O2 — CID 91947125

IUPAC2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)N1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C21H26N6O2/c1-25-17-8-4-3-7-16(17)24-20(25)15-6-5-13-27(14-15)19(28)10-11-22-21(29)18-9-12-23-26(18)2/h3-4,7-9,12,15H,5-6,10-11,13-14H2,1-2H3,(H,22,29)
InChIKeyZMMKAGFTWWUZKU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide

2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide (PubChem CID 91947125) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
PubChem CID91947125
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCC(=O)N1CCCC(c2nc3ccccc3n2C)C1
InChIInChI=1S/C21H26N6O2/c1-25-17-8-4-3-7-16(17)24-20(25)15-6-5-13-27(14-15)19(28)10-11-22-21(29)18-9-12-23-26(18)2/h3-4,7-9,12,15H,5-6,10-11,13-14H2,1-2H3,(H,22,29)
InChIKeyZMMKAGFTWWUZKU-UHFFFAOYSA-N
XLogP1.83
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
3,3-dimethyl-1-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]indol-2-one
CID 91947042
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126438580
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide (CID 91947125) is 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCCC(=O)N1CCCC(c2nc3ccccc3n2C)C1.
What is the InChIKey of 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is ZMMKAGFTWWUZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-17-8-4-3-7-16(17)24-20(25)15-6-5-13-27(14-15)19(28)10-11-22-21(29)18-9-12-23-26(18)2/h3-4,7-9,12,15H,5-6,10-11,13-14H2,1-2H3,(H,22,29).
What are the key properties of 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91947125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).