1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one

C18H23FN4O2 — CID 45204911

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one
SMILESCc1cc(CNCC2(O)CCCN(Cc3ccc(F)cc3)C2=O)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-13-9-16(22-21-13)10-20-12-18(25)7-2-8-23(17(18)24)11-14-3-5-15(19)6-4-14/h3-6,9,20,25H,2,7-8,10-12H2,1H3,(H,21,22)
InChIKeyMQPMFDNJABKNHZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.50
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one (PubChem CID 45204911) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one
PubChem CID45204911
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one
SMILESCc1cc(CNCC2(O)CCCN(Cc3ccc(F)cc3)C2=O)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-13-9-16(22-21-13)10-20-12-18(25)7-2-8-23(17(18)24)11-14-3-5-15(19)6-4-14/h3-6,9,20,25H,2,7-8,10-12H2,1H3,(H,21,22)
InChIKeyMQPMFDNJABKNHZ-UHFFFAOYSA-N
XLogP1.50
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one with MolForge

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 25286305
(3S)-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95205613
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
CID 25366923
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 56756727
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1H-benzimidazol-2-yl)methylamino]methyl]piperidin-2-one
CID 95201048
(3S)-3-[(cyclobutylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26396288
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 25284684
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
CID 56757392
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42244126
(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(1-methylpyrazol-4-yl)methylamino]methyl]piperidin-2-one
CID 42508145

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one (CID 45204911) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one is Cc1cc(CNCC2(O)CCCN(Cc3ccc(F)cc3)C2=O)n[nH]1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one?
The InChIKey is MQPMFDNJABKNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13-9-16(22-21-13)10-20-12-18(25)7-2-8-23(17(18)24)11-14-3-5-15(19)6-4-14/h3-6,9,20,25H,2,7-8,10-12H2,1H3,(H,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45204911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).