4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

C18H22FN3O — CID 53191759

IUPAC4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C18H22FN3O/c1-20-6-5-16(12-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyNUHRCSXXGYBHSF-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.84
Rot. Bonds4

About 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 53191759) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID53191759
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1=O
InChIInChI=1S/C18H22FN3O/c1-20-6-5-16(12-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyNUHRCSXXGYBHSF-UHFFFAOYSA-N
XLogP1.84
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-[3-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70756905
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
CID 94443902
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 53191759) is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1=O.
What is the InChIKey of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is NUHRCSXXGYBHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-20-6-5-16(12-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 315.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).