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

C25H25N5O2 — CID 53482021

IUPAC3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cnc2ccccc2c1)N1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C25H25N5O2/c31-24(18-13-17-5-1-2-6-21(17)26-14-18)29-15-20(16-29)28-11-9-19(10-12-28)30-23-8-4-3-7-22(23)27-25(30)32/h1-8,13-14,19-20H,9-12,15-16H2,(H,27,32)
InChIKeyKZWSSTUFCAZAPA-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.04
Rot. Bonds3

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

3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 53482021) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID53482021
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cnc2ccccc2c1)N1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C25H25N5O2/c31-24(18-13-17-5-1-2-6-21(17)26-14-18)29-15-20(16-29)28-11-9-19(10-12-28)30-23-8-4-3-7-22(23)27-25(30)32/h1-8,13-14,19-20H,9-12,15-16H2,(H,27,32)
InChIKeyKZWSSTUFCAZAPA-UHFFFAOYSA-N
XLogP3.04
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 70724622
3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968300
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 53482021) is 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1cnc2ccccc2c1)N1CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is KZWSSTUFCAZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-24(18-13-17-5-1-2-6-21(17)26-14-18)29-15-20(16-29)28-11-9-19(10-12-28)30-23-8-4-3-7-22(23)27-25(30)32/h1-8,13-14,19-20H,9-12,15-16H2,(H,27,32).
What are the key properties of 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 427.51 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(quinoline-3-carbonyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 53482021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).