3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one

C18H30N4O4 — CID 56712823

IUPAC3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(O)(Cn3ccnc3)CC2)C1=O
InChIInChI=1S/C18H30N4O4/c1-26-12-11-22-7-2-3-18(25,16(22)23)14-20-8-4-17(24,5-9-20)13-21-10-6-19-15-21/h6,10,15,24-25H,2-5,7-9,11-14H2,1H3
InChIKeyRUGXFLOSIKICKG-UHFFFAOYSA-N
MW366.46 g/mol
LogP-0.29
Rot. Bonds7

About 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one

3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 56712823) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one
PubChem CID56712823
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(O)(Cn3ccnc3)CC2)C1=O
InChIInChI=1S/C18H30N4O4/c1-26-12-11-22-7-2-3-18(25,16(22)23)14-20-8-4-17(24,5-9-20)13-21-10-6-19-15-21/h6,10,15,24-25H,2-5,7-9,11-14H2,1H3
InChIKeyRUGXFLOSIKICKG-UHFFFAOYSA-N
XLogP-0.29
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 56720257
(1-methyl-1H-imidazol-2-yl){1-[(1-propyl-4-piperidinyl)acetyl]-4-piperidinyl}methanol
CID 72849022
2-(2-hydroxypropyl)-9-[3-(1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72930944
5-{[4-(1H-imidazol-1-ylmethyl)-1-piperidinyl]carbonyl}-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 45236464
3-hydroxy-1-(2-methoxyethyl)-3-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}methyl)piperidin-2-one
CID 56706953
1-(cyclohexylmethyl)-3-{[[(1-ethyl-1H-imidazol-2-yl)methyl](methyl)amino]methyl}-3-hydroxypiperidin-2-one
CID 56739949
4-Methyl-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471372
[4-(1-Hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
CID 166649767
(3R)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25279696
(3S)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25279698
(5R)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 28786070

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one (CID 56712823) is 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCCC(O)(CN2CCC(O)(Cn3ccnc3)CC2)C1=O.
What is the InChIKey of 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is RUGXFLOSIKICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-26-12-11-22-7-2-3-18(25,16(22)23)14-20-8-4-17(24,5-9-20)13-21-10-6-19-15-21/h6,10,15,24-25H,2-5,7-9,11-14H2,1H3.
What are the key properties of 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one?
3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 366.46 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 56712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).