2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C18H22FN3O2 — CID 134792662

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccccc1F)N1CCC(N2CC3CCCN3C2=O)CC1
InChIInChI=1S/C18H22FN3O2/c19-16-6-2-1-5-15(16)17(23)20-10-7-13(8-11-20)22-12-14-4-3-9-21(14)18(22)24/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyKUGJQCNFVXYPMJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.33
Rot. Bonds2

About 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 134792662) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID134792662
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccccc1F)N1CCC(N2CC3CCCN3C2=O)CC1
InChIInChI=1S/C18H22FN3O2/c19-16-6-2-1-5-15(16)17(23)20-10-7-13(8-11-20)22-12-14-4-3-9-21(14)18(22)24/h1-2,5-6,13-14H,3-4,7-12H2
InChIKeyKUGJQCNFVXYPMJ-UHFFFAOYSA-N
XLogP2.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one with MolForge

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Related Compounds

(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
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CID 5189681
3-Benzyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-methyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10502409
1-[2-(4-Benzoyl-piperazin-1-yl)-ethyl]-imidazolidin-2-one
CID 14208334
4-(4-ethylphenyl)-N-methyl-N-[(3S)-1-[(3R)-3-piperidin-1-ylpyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 16046124
[1-[1-(2,5-Difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817703
(S)-(1-Benzoylpyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 25775505
N-(1-butylpyrrolidin-3-yl)-N-methyl-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 44389375
N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 44389440
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 44389509
N-[(3S)-1-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44415425
N-[(3S)-1-[(3R)-3-[ethyl(methyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44415426

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 134792662) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is O=C(c1ccccc1F)N1CCC(N2CC3CCCN3C2=O)CC1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is KUGJQCNFVXYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-16-6-2-1-5-15(16)17(23)20-10-7-13(8-11-20)22-12-14-4-3-9-21(14)18(22)24/h1-2,5-6,13-14H,3-4,7-12H2.
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 331.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 134792662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).