3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

C22H27FN4O3 — CID 110268966

IUPAC3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESO=C(c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H27FN4O3/c23-17-7-4-16(5-8-17)6-9-21(28)27-10-2-1-3-20(27)18-15-19(25-24-18)22(29)26-11-13-30-14-12-26/h4-5,7-8,15,20H,1-3,6,9-14H2,(H,24,25)
InChIKeyFFMCYIDLIPTWRN-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.71
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 110268966) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID110268966
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESO=C(c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H27FN4O3/c23-17-7-4-16(5-8-17)6-9-21(28)27-10-2-1-3-20(27)18-15-19(25-24-18)22(29)26-11-13-30-14-12-26/h4-5,7-8,15,20H,1-3,6,9-14H2,(H,24,25)
InChIKeyFFMCYIDLIPTWRN-UHFFFAOYSA-N
XLogP2.71
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834
[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268862
morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840524
morpholin-4-yl-[5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840395
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (CID 110268966) is 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is O=C(c1cc(C2CCCCN2C(=O)CCc2ccc(F)cc2)[nH]n1)N1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FFMCYIDLIPTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c23-17-7-4-16(5-8-17)6-9-21(28)27-10-2-1-3-20(27)18-15-19(25-24-18)22(29)26-11-13-30-14-12-26/h4-5,7-8,15,20H,1-3,6,9-14H2,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 414.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110268966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).