6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one

C27H30FN3O5 — CID 129032254

IUPAC6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(O)c1-c1ccccc1OC
InChIInChI=1S/C27H30FN3O5/c1-3-36-17-21-23(20-9-4-5-10-22(20)35-2)25(32)24(26(33)29-21)27(34)31-13-11-30(12-14-31)16-18-7-6-8-19(28)15-18/h4-10,15H,3,11-14,16-17H2,1-2H3,(H2,29,32,33)
InChIKeyUAHUYSRHLWEMMI-UHFFFAOYSA-N
MW495.55 g/mol
LogP3.39
Rot. Bonds8

About 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one

6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 129032254) has the molecular formula C27H30FN3O5 and a molecular weight of 495.55 g/mol. Its IUPAC name is 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one
PubChem CID129032254
Molecular FormulaC27H30FN3O5
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one
SMILESCCOCc1[nH]c(=O)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(O)c1-c1ccccc1OC
InChIInChI=1S/C27H30FN3O5/c1-3-36-17-21-23(20-9-4-5-10-22(20)35-2)25(32)24(26(33)29-21)27(34)31-13-11-30(12-14-31)16-18-7-6-8-19(28)15-18/h4-10,15H,3,11-14,16-17H2,1-2H3,(H2,29,32,33)
InChIKeyUAHUYSRHLWEMMI-UHFFFAOYSA-N
XLogP3.39
TPSA95.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032211
5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032355
6-butyl-5-(2,6-dimethoxyphenyl)-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 129032147
3-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-6-(2-ethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 152517339
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 159793245
6-butyl-3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032259
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 91955061
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone;oxalic acid
CID 52994628

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one (CID 129032254) is 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one is CCOCc1[nH]c(=O)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(O)c1-c1ccccc1OC.
What is the InChIKey of 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is UAHUYSRHLWEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5/c1-3-36-17-21-23(20-9-4-5-10-22(20)35-2)25(32)24(26(33)29-21)27(34)31-13-11-30(12-14-31)16-18-7-6-8-19(28)15-18/h4-10,15H,3,11-14,16-17H2,1-2H3,(H2,29,32,33).
What are the key properties of 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one?
6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 495.55 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-hydroxy-5-(2-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 129032254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).