1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

C19H23FN4O3 — CID 24819296

IUPAC1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1
InChIInChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyZMOHUSUSYUNDEM-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.75
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24819296) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24819296
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1
InChIInChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyZMOHUSUSYUNDEM-UHFFFAOYSA-N
XLogP1.75
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24790733
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790850
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791255
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818925
3-(4-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 145969657
N-(2-fluoro-5-methylphenyl)-N'-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N'-methylbutanediamide
CID 46987933
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 49795807
2-(1-benzyl-3-oxo-2-piperazinyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}acetamide
CID 56890166
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-4-(3-pyrrolidinyl)benzamide
CID 56907719
1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 50962921
(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
CID 95127174
(2S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 100100641

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide (CID 24819296) is 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is COCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)[nH]n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZMOHUSUSYUNDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-27-12-16-8-15(22-23-16)9-21-19(26)14-6-7-18(25)24(11-14)10-13-4-2-3-5-17(13)20/h2-5,8,14H,6-7,9-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).