(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C20H23FN4O3 — CID 95840496

IUPAC(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)19(26)25-7-1-2-15(13-25)17-12-18(23-22-17)20(27)24-8-10-28-11-9-24/h3-6,12,15H,1-2,7-11,13H2,(H,22,23)/t15-/m1/s1
InChIKeyZUZNGBLAJIFFND-OAHLLOKOSA-N
MW386.43 g/mol
LogP2.04
Rot. Bonds3

About (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 95840496) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID95840496
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1
InChIInChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)19(26)25-7-1-2-15(13-25)17-12-18(23-22-17)20(27)24-8-10-28-11-9-24/h3-6,12,15H,1-2,7-11,13H2,(H,22,23)/t15-/m1/s1
InChIKeyZUZNGBLAJIFFND-OAHLLOKOSA-N
XLogP2.04
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882
2-(azepan-1-yl)-1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268942
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
[5-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840400
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 110265042
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288565

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 95840496) is (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is ZUZNGBLAJIFFND-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-16-5-3-14(4-6-16)19(26)25-7-1-2-15(13-25)17-12-18(23-22-17)20(27)24-8-10-28-11-9-24/h3-6,12,15H,1-2,7-11,13H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95840496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).