1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

C20H27FN4O2 — CID 46983815

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-14(13-27-2)23-20(26)16-7-9-25(10-8-16)12-17-11-22-24-19(17)15-3-5-18(21)6-4-15/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyIAUIMYFCIQVOAV-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds7

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 46983815) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID46983815
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-14(13-27-2)23-20(26)16-7-9-25(10-8-16)12-17-11-22-24-19(17)15-3-5-18(21)6-4-15/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyIAUIMYFCIQVOAV-UHFFFAOYSA-N
XLogP2.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (CID 46983815) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is IAUIMYFCIQVOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-14(13-27-2)23-20(26)16-7-9-25(10-8-16)12-17-11-22-24-19(17)15-3-5-18(21)6-4-15/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46983815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).