1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide

C20H25FN4O3 — CID 146243026

IUPAC1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H25FN4O3/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/h3-6,13,15,26H,1-2,7-12H2,(H2,22,27)
InChIKeySGFHOIKURYNSJB-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.06
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide

1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 146243026) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide
PubChem CID146243026
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H25FN4O3/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/h3-6,13,15,26H,1-2,7-12H2,(H2,22,27)
InChIKeySGFHOIKURYNSJB-UHFFFAOYSA-N
XLogP1.06
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorobenzyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]acetamide
CID 51368525
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-phenylpyrazin-2-one
CID 177664600
5-[4-[(dimethylamino)methyl]phenyl]-1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177664724
(2S)-N-[4-[2-(1,4-dihydroisoindol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 68806558
1-[N-ethenyl-C-(oxan-4-yl)carbonimidoyl]-4-[(2-fluorophenyl)methyl]-5-methyl-2H-pyrazin-3-one
CID 134468759
1-[(3-Fluorophenyl)methyl]-3-imino-4-(oxane-4-carboximidoyl)pyrazin-2-one
CID 138721380
1-[5-[3-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]propyl]-2-oxo-1H-pyrazin-3-yl]piperidine-4-carboxylic acid
CID 146242947
1-[4-[(4-Fluorophenyl)methyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperidine-4-carboxamide
CID 146243018
Ethyl 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146243021
1-[6-Bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide
CID 146243025
3-[4-[(4-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146243028
1-[(4-Fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
CID 146243082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide (CID 146243026) is 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is SGFHOIKURYNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/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/h3-6,13,15,26H,1-2,7-12H2,(H2,22,27).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 146243026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).