2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one

C22H30FN3O2 — CID 72877232

IUPAC2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)CC2CCCN(CCc3ccccc3F)C2)cc1=O
InChIInChI=1S/C22H30FN3O2/c1-25(16-19-12-21(27)22(28-2)13-24-19)14-17-6-5-10-26(15-17)11-9-18-7-3-4-8-20(18)23/h3-4,7-8,12-13,17H,5-6,9-11,14-16H2,1-2H3,(H,24,27)
InChIKeyHWJRMWDPSXFKPL-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.91
Rot. Bonds8

About 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one

2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 72877232) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one
PubChem CID72877232
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN(C)CC2CCCN(CCc3ccccc3F)C2)cc1=O
InChIInChI=1S/C22H30FN3O2/c1-25(16-19-12-21(27)22(28-2)13-24-19)14-17-6-5-10-26(15-17)11-9-18-7-3-4-8-20(18)23/h3-4,7-8,12-13,17H,5-6,9-11,14-16H2,1-2H3,(H,24,27)
InChIKeyHWJRMWDPSXFKPL-UHFFFAOYSA-N
XLogP2.91
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 97277717
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-N-methylmethanamine
CID 45209714
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(4-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 42383723
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
1-[4-[[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]thiophen-2-yl]ethanone
CID 29029788
2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 45244943
1-[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 97281987
2-(2,4-dioxopyrimidin-1-yl)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 72837777
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 29000140
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-4-methoxyphenol
CID 42591152

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one (CID 72877232) is 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CN(C)CC2CCCN(CCc3ccccc3F)C2)cc1=O.
What is the InChIKey of 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is HWJRMWDPSXFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-25(16-19-12-21(27)22(28-2)13-24-19)14-17-6-5-10-26(15-17)11-9-18-7-3-4-8-20(18)23/h3-4,7-8,12-13,17H,5-6,9-11,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one?
2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 387.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 72877232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).