3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one

C18H23N3O2 — CID 84576543

IUPAC3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
SMILESCCC1CCCCN1C(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-15-10-6-7-11-20(15)17(22)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,19,23)
InChIKeyWCPQLCDLYRXENJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds4

About 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one

3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one (PubChem CID 84576543) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
PubChem CID84576543
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
SMILESCCC1CCCCN1C(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-2-15-10-6-7-11-20(15)17(22)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,19,23)
InChIKeyWCPQLCDLYRXENJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026370
6-benzyl-5-(2-ethylpiperidine-1-carbonyl)-12-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4907722
1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620050
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
[5-(benzylamino)-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109188025
[6-(benzylamino)pyridazin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109117736
3-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620640

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one (CID 84576543) is 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one is CCC1CCCCN1C(=O)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one?
The InChIKey is WCPQLCDLYRXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-15-10-6-7-11-20(15)17(22)16-12-19-18(23)21(16)13-14-8-4-3-5-9-14/h3-5,8-9,12,15H,2,6-7,10-11,13H2,1H3,(H,19,23).
What are the key properties of 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one?
3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one is sourced from PubChem (CID 84576543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).