3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H26N6O2 — CID 54325846

IUPAC3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccnnc1)N1CCCCC1N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H26N6O2/c29-21(16-8-11-23-24-15-16)27-12-4-3-7-20(27)26-13-9-17(10-14-26)28-19-6-2-1-5-18(19)25-22(28)30/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10,12-14H2,(H,25,30)
InChIKeySUWASBLMGHNBBQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.41
Rot. Bonds3

About 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 54325846) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID54325846
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccnnc1)N1CCCCC1N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H26N6O2/c29-21(16-8-11-23-24-15-16)27-12-4-3-7-20(27)26-13-9-17(10-14-26)28-19-6-2-1-5-18(19)25-22(28)30/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10,12-14H2,(H,25,30)
InChIKeySUWASBLMGHNBBQ-UHFFFAOYSA-N
XLogP2.41
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[1-[(2S)-2-amino-3-pyridin-3-ylpropanoyl]piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54304920
6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54019352
7-ethyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54340518
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 53482021
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 91042796
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 54325846) is 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccnnc1)N1CCCCC1N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SUWASBLMGHNBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-21(16-8-11-23-24-15-16)27-12-4-3-7-20(27)26-13-9-17(10-14-26)28-19-6-2-1-5-18(19)25-22(28)30/h1-2,5-6,8,11,15,17,20H,3-4,7,9-10,12-14H2,(H,25,30).
What are the key properties of 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 54325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).