3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one

C17H23N3O — CID 131114941

IUPAC3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC1(C)CN(Cc2ccccc2)CCC1n1cc[nH]c1=O
InChIInChI=1S/C17H23N3O/c1-17(2)13-19(12-14-6-4-3-5-7-14)10-8-15(17)20-11-9-18-16(20)21/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,18,21)
InChIKeyLTMAUXMESRMSLB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.65
Rot. Bonds3

About 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one

3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 131114941) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one
PubChem CID131114941
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one
SMILESCC1(C)CN(Cc2ccccc2)CCC1n1cc[nH]c1=O
InChIInChI=1S/C17H23N3O/c1-17(2)13-19(12-14-6-4-3-5-7-14)10-8-15(17)20-11-9-18-16(20)21/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,18,21)
InChIKeyLTMAUXMESRMSLB-UHFFFAOYSA-N
XLogP2.65
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 163394366
4-[[(3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-3-methylpiperidin-1-yl]methyl]benzoic acid
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(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
CID 146122435
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
3-[(4-hydroxy-3,3-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 112747193
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
(3S)-1-benzyl-3-methylpiperidine-3-thiol
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3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one (CID 131114941) is 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one is CC1(C)CN(Cc2ccccc2)CCC1n1cc[nH]c1=O.
What is the InChIKey of 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is LTMAUXMESRMSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)13-19(12-14-6-4-3-5-7-14)10-8-15(17)20-11-9-18-16(20)21/h3-7,9,11,15H,8,10,12-13H2,1-2H3,(H,18,21).
What are the key properties of 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one?
3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-3,3-dimethylpiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 131114941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).