1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide

C20H23FN4O3 — CID 146243018

IUPAC1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)12-25-13-17(2-1-11-26)23-19(20(25)28)24-9-7-15(8-10-24)18(22)27/h3-6,11,13,15H,1-2,7-10,12H2,(H2,22,27)
InChIKeyHPUKGMGXXVAJCY-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.26
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide

1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 146243018) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID146243018
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)12-25-13-17(2-1-11-26)23-19(20(25)28)24-9-7-15(8-10-24)18(22)27/h3-6,11,13,15H,1-2,7-10,12H2,(H2,22,27)
InChIKeyHPUKGMGXXVAJCY-UHFFFAOYSA-N
XLogP1.26
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[7-benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]acetamide
CID 45501250
3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
CID 59830278
2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 47010863
3-Piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one
CID 10245675
2-(3-amino-6-methyl-2-oxopyrazin-1-yl)-N-[1-(3-fluorophenyl)propyl]acetamide
CID 20641801
N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
CID 57148022
(2R)-N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-methylbutanamide
CID 58581539
(2S)-N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 58581595
N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 67317864
(2S)-N-[4-[2-(1,4-dihydroisoindol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 68806558
1-[2-[6-Oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetyl]piperidine-4-carboxamide
CID 129198198
1-[N-ethenyl-C-(oxan-4-yl)carbonimidoyl]-4-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrazin-3-one
CID 134468759

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide (CID 146243018) is 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is HPUKGMGXXVAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)12-25-13-17(2-1-11-26)23-19(20(25)28)24-9-7-15(8-10-24)18(22)27/h3-6,11,13,15H,1-2,7-10,12H2,(H2,22,27).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide?
1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 146243018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).