3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one

C30H32N4O4 — CID 24961616

IUPAC3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1cccc(-c2cn(C3CCN(c4cc(C(=O)c5cc(C)c(O)c(C)c5)cc(C)n4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C30H32N4O4/c1-18-12-22(13-19(2)28(18)35)29(36)23-14-20(3)31-27(16-23)33-10-8-24(9-11-33)34-17-26(32-30(34)37)21-6-5-7-25(15-21)38-4/h5-7,12-17,24,35H,8-11H2,1-4H3,(H,32,37)
InChIKeyLGFNYFXUNMUULH-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.95
Rot. Bonds6

About 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one

3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one (PubChem CID 24961616) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one
PubChem CID24961616
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one
SMILESCOc1cccc(-c2cn(C3CCN(c4cc(C(=O)c5cc(C)c(O)c(C)c5)cc(C)n4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C30H32N4O4/c1-18-12-22(13-19(2)28(18)35)29(36)23-14-20(3)31-27(16-23)33-10-8-24(9-11-33)34-17-26(32-30(34)37)21-6-5-7-25(15-21)38-4/h5-7,12-17,24,35H,8-11H2,1-4H3,(H,32,37)
InChIKeyLGFNYFXUNMUULH-UHFFFAOYSA-N
XLogP4.95
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
3-(1-ethylpiperidin-4-yl)-5-(3-hydroxyphenyl)-1H-imidazol-2-one
CID 59767849
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
2-(3-methoxyphenyl)-7-methyl-1H-1,8-naphthyridin-4-one
CID 5468698
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133464903
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one (CID 24961616) is 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one is COc1cccc(-c2cn(C3CCN(c4cc(C(=O)c5cc(C)c(O)c(C)c5)cc(C)n4)CC3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one?
The InChIKey is LGFNYFXUNMUULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-18-12-22(13-19(2)28(18)35)29(36)23-14-20(3)31-27(16-23)33-10-8-24(9-11-33)34-17-26(32-30(34)37)21-6-5-7-25(15-21)38-4/h5-7,12-17,24,35H,8-11H2,1-4H3,(H,32,37).
What are the key properties of 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one?
3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one has a molecular weight of 512.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-hydroxy-3,5-dimethylbenzoyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-5-(3-methoxyphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 24961616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).