4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide

C21H27FN4O2 — CID 126785398

IUPAC4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)C3(c4cccc(F)c4)CCOCC3)C2)cn1
InChIInChI=1S/C21H27FN4O2/c1-25-15-19(13-23-25)26-9-3-6-18(14-26)24-20(27)21(7-10-28-11-8-21)16-4-2-5-17(22)12-16/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3,(H,24,27)
InChIKeyQNJIQWGDMAAHKN-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.39
Rot. Bonds4

About 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide (PubChem CID 126785398) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide
PubChem CID126785398
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESCn1cc(N2CCCC(NC(=O)C3(c4cccc(F)c4)CCOCC3)C2)cn1
InChIInChI=1S/C21H27FN4O2/c1-25-15-19(13-23-25)26-9-3-6-18(14-26)24-20(27)21(7-10-28-11-8-21)16-4-2-5-17(22)12-16/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3,(H,24,27)
InChIKeyQNJIQWGDMAAHKN-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide
CID 86772641
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 95161026
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide (CID 126785398) is 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide is Cn1cc(N2CCCC(NC(=O)C3(c4cccc(F)c4)CCOCC3)C2)cn1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide?
The InChIKey is QNJIQWGDMAAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-25-15-19(13-23-25)26-9-3-6-18(14-26)24-20(27)21(7-10-28-11-8-21)16-4-2-5-17(22)12-16/h2,4-5,12-13,15,18H,3,6-11,14H2,1H3,(H,24,27).
What are the key properties of 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 126785398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).