1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one

C19H27N3O2 — CID 87852584

IUPAC1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
SMILESCC1(CN2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)CO1
InChIInChI=1S/C19H27N3O2/c1-19(15-24-19)14-21-11-12-22(18(21)23)17-7-9-20(10-8-17)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyOVOCVEKSDSADAB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one

1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one (PubChem CID 87852584) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
PubChem CID87852584
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
SMILESCC1(CN2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)CO1
InChIInChI=1S/C19H27N3O2/c1-19(15-24-19)14-21-11-12-22(18(21)23)17-7-9-20(10-8-17)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyOVOCVEKSDSADAB-UHFFFAOYSA-N
XLogP2.18
TPSA39.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
1-ethyl-3-[1-[(6-pyridin-2-yl-3-pyridinyl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 146134129
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
CID 11718536
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
CID 82384888
1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 46335586
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one (CID 87852584) is 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one is CC1(CN2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)CO1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
The InChIKey is OVOCVEKSDSADAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(15-24-19)14-21-11-12-22(18(21)23)17-7-9-20(10-8-17)13-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one?
1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 87852584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).