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

C18H25N3O — CID 75153871

IUPAC2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N2CCCC2CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2
InChIKeyQBYDDWVSUKGRHR-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.55
Rot. Bonds3

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

2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 75153871) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID75153871
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C1N2CCCC2CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2
InChIKeyQBYDDWVSUKGRHR-UHFFFAOYSA-N
XLogP2.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
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CID 16124769
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octahydro-benzoimidazol-2-one
CID 9902583
(S)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid biphenyl-4-ylmethyl-methyl-amide
CID 44418464
Isoindolin-2-yl(4-isopropylpiperazin-1-yl)methanone
CID 44418472
(4-Cyclopropylpiperazin-1-yl)(isoindolin-2-yl)methanone
CID 44418473
(4-Cyclopentylpiperazin-1-yl)(isoindolin-2-yl)methanone
CID 44418477
(S)-N-benzyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418526
(S)-N-(3-(aminomethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418535
(S)-N-(4-(aminomethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418536
US10343992, Example 193
CID 122590925

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 75153871) is 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is O=C1N2CCCC2CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is QBYDDWVSUKGRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18-20-10-4-7-17(20)14-21(18)16-8-11-19(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 299.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 75153871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).