methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate

C19H22FN3O4 — CID 52935970

IUPACmethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccn(Cc3ccc(F)cc3)c(=O)c2O)CC1
InChIInChI=1S/C19H22FN3O4/c1-27-19(26)22-10-8-21(9-11-22)13-15-6-7-23(18(25)17(15)24)12-14-2-4-16(20)5-3-14/h2-7,24H,8-13H2,1H3
InChIKeyWBXIGJXMRLPGSM-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.63
Rot. Bonds4

About methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate

methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate (PubChem CID 52935970) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
PubChem CID52935970
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccn(Cc3ccc(F)cc3)c(=O)c2O)CC1
InChIInChI=1S/C19H22FN3O4/c1-27-19(26)22-10-8-21(9-11-22)13-15-6-7-23(18(25)17(15)24)12-14-2-4-16(20)5-3-14/h2-7,24H,8-13H2,1H3
InChIKeyWBXIGJXMRLPGSM-UHFFFAOYSA-N
XLogP1.63
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

Izilendustat
CID 52912218
Ethyl 4-(2,4-difluorobenzyl)-1-piperazinecarboxylate oxalate
CID 2846018
5-({4-[(2-Fluorophenyl)methyl]piperazin-1-YL}methyl)-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 53191688
N-cyclohexyl-N-(4-fluorobenzyl)-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide
CID 72914394
4-[4-[(2-Fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460684
5-{[4-(3-fluorobenzyl)piperazino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 87054490
1-Benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 10430428
N-[6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridin-1-yl]-N-methyl-acetamide
CID 54684489
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N-dimethyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 54692263
6-[(4-fluorophenyl)methyl]-4-hydroxy-N,N,2-trimethyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692270
N,N-diethyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692272
N,N-diethyl-6-[(4-fluorophenyl)methyl]-3,4-dihydroxy-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxamide
CID 54692273

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate (CID 52935970) is methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccn(Cc3ccc(F)cc3)c(=O)c2O)CC1.
What is the InChIKey of methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
The InChIKey is WBXIGJXMRLPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-27-19(26)22-10-8-21(9-11-22)13-15-6-7-23(18(25)17(15)24)12-14-2-4-16(20)5-3-14/h2-7,24H,8-13H2,1H3.
What are the key properties of methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate?
methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 52935970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).