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

C19H26N4O2 — CID 58863178

IUPAC3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-6-14(7-11-21)18(24)22-12-8-15(9-13-22)23-17-5-3-2-4-16(17)20-19(23)25/h2-5,14-15H,6-13H2,1H3,(H,20,25)
InChIKeyZUFOKEMERNKIMK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds2

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

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 58863178) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID58863178
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H26N4O2/c1-21-10-6-14(7-11-21)18(24)22-12-8-15(9-13-22)23-17-5-3-2-4-16(17)20-19(23)25/h2-5,14-15H,6-13H2,1H3,(H,20,25)
InChIKeyZUFOKEMERNKIMK-UHFFFAOYSA-N
XLogP1.83
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
CID 91445374
CID 91445374
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 128531036
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 58863178) is 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is CN1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZUFOKEMERNKIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21-10-6-14(7-11-21)18(24)22-12-8-15(9-13-22)23-17-5-3-2-4-16(17)20-19(23)25/h2-5,14-15H,6-13H2,1H3,(H,20,25).
What are the key properties of 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 58863178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).