3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C21H22N4O2 — CID 128531036

IUPAC3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCc2cccnc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H22N4O2/c26-20(16-8-7-14-4-3-11-22-19(14)16)24-12-9-15(10-13-24)25-18-6-2-1-5-17(18)23-21(25)27/h1-6,11,15-16H,7-10,12-13H2,(H,23,27)
InChIKeyGSEFTRIPOXAXDL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.62
Rot. Bonds2

About 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 128531036) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID128531036
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCc2cccnc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H22N4O2/c26-20(16-8-7-14-4-3-11-22-19(14)16)24-12-9-15(10-13-24)25-18-6-2-1-5-17(18)23-21(25)27/h1-6,11,15-16H,7-10,12-13H2,(H,23,27)
InChIKeyGSEFTRIPOXAXDL-UHFFFAOYSA-N
XLogP2.62
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70724622
3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 154839744
CID 91445374
CID 91445374
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 128531036) is 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(C1CCc2cccnc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GSEFTRIPOXAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(16-8-7-14-4-3-11-22-19(14)16)24-12-9-15(10-13-24)25-18-6-2-1-5-17(18)23-21(25)27/h1-6,11,15-16H,7-10,12-13H2,(H,23,27).
What are the key properties of 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 128531036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).