N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide

C25H27FN4O3 — CID 139375551

IUPACN-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1
InChIInChI=1S/C25H27FN4O3/c1-28(16-19-7-3-2-4-8-19)24(32)29-13-11-25(33,12-14-29)17-30-18-27-22(15-23(30)31)20-9-5-6-10-21(20)26/h2-10,15,18,33H,11-14,16-17H2,1H3
InChIKeyLNYLKAVZYYCQMO-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.13
Rot. Bonds5

About N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide

N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 139375551) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID139375551
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1
InChIInChI=1S/C25H27FN4O3/c1-28(16-19-7-3-2-4-8-19)24(32)29-13-11-25(33,12-14-29)17-30-18-27-22(15-23(30)31)20-9-5-6-10-21(20)26/h2-10,15,18,33H,11-14,16-17H2,1H3
InChIKeyLNYLKAVZYYCQMO-UHFFFAOYSA-N
XLogP3.13
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide (CID 139375551) is N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide is CN(Cc1ccccc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1.
What is the InChIKey of N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is LNYLKAVZYYCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-28(16-19-7-3-2-4-8-19)24(32)29-13-11-25(33,12-14-29)17-30-18-27-22(15-23(30)31)20-9-5-6-10-21(20)26/h2-10,15,18,33H,11-14,16-17H2,1H3.
What are the key properties of N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide?
N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 139375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).