1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one

C20H26FN5O2 — CID 56753828

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2ccccc2F)CCCC1(O)CN1CCC(n2cnnc2)CC1
InChIInChI=1S/C20H26FN5O2/c21-18-5-2-1-4-16(18)12-25-9-3-8-20(28,19(25)27)13-24-10-6-17(7-11-24)26-14-22-23-15-26/h1-2,4-5,14-15,17,28H,3,6-13H2
InChIKeyLMTSUTUNXUKDMZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 56753828) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID56753828
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one
SMILESO=C1N(Cc2ccccc2F)CCCC1(O)CN1CCC(n2cnnc2)CC1
InChIInChI=1S/C20H26FN5O2/c21-18-5-2-1-4-16(18)12-25-9-3-8-20(28,19(25)27)13-24-10-6-17(7-11-24)26-14-22-23-15-26/h1-2,4-5,14-15,17,28H,3,6-13H2
InChIKeyLMTSUTUNXUKDMZ-UHFFFAOYSA-N
XLogP1.61
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45245843
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]piperidin-2-one
CID 56754466
(3S)-1-[(2,3-difluorophenyl)methyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxypiperidin-2-one
CID 42509603
1-[[1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56747319
4-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95200271
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45237085
(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26405267
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 95219529
(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(morpholin-4-ylmethyl)piperidin-2-one
CID 95219686
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
CID 25294220
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 56753715
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 45197923

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one (CID 56753828) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one is O=C1N(Cc2ccccc2F)CCCC1(O)CN1CCC(n2cnnc2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is LMTSUTUNXUKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c21-18-5-2-1-4-16(18)12-25-9-3-8-20(28,19(25)27)13-24-10-6-17(7-11-24)26-14-22-23-15-26/h1-2,4-5,14-15,17,28H,3,6-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 387.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 56753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).