(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone

C29H35FN4O2 — CID 174991109

IUPAC(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(O)(Cc2ccnn2-c2ccc(CCC3CCCCN3)cc2)CC1
InChIInChI=1S/C29H35FN4O2/c30-24-9-7-23(8-10-24)28(35)33-19-15-29(36,16-20-33)21-27-14-18-32-34(27)26-12-5-22(6-13-26)4-11-25-3-1-2-17-31-25/h5-10,12-14,18,25,31,36H,1-4,11,15-17,19-21H2
InChIKeySDOHBJQUKIRKSN-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.30
Rot. Bonds7

About (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 174991109) has the molecular formula C29H35FN4O2 and a molecular weight of 490.62 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID174991109
Molecular FormulaC29H35FN4O2
Molecular Weight490.62 g/mol
Exact Mass490.27
IUPAC Name(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(O)(Cc2ccnn2-c2ccc(CCC3CCCCN3)cc2)CC1
InChIInChI=1S/C29H35FN4O2/c30-24-9-7-23(8-10-24)28(35)33-19-15-29(36,16-20-33)21-27-14-18-32-34(27)26-12-5-22(6-13-26)4-11-25-3-1-2-17-31-25/h5-10,12-14,18,25,31,36H,1-4,11,15-17,19-21H2
InChIKeySDOHBJQUKIRKSN-UHFFFAOYSA-N
XLogP4.30
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-hydroxy-4-[[2-(4-methylphenyl)pyrazol-3-yl]methyl]piperidin-1-yl]-[4-(1-methylazetidin-3-yl)oxyphenyl]methanone
CID 174993288
4-fluoro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 58315755
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 78853830
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 118740283
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone (CID 174991109) is (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(O)(Cc2ccnn2-c2ccc(CCC3CCCCN3)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is SDOHBJQUKIRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O2/c30-24-9-7-23(8-10-24)28(35)33-19-15-29(36,16-20-33)21-27-14-18-32-34(27)26-12-5-22(6-13-26)4-11-25-3-1-2-17-31-25/h5-10,12-14,18,25,31,36H,1-4,11,15-17,19-21H2.
What are the key properties of (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 490.62 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-hydroxy-4-[[2-[4-(2-piperidin-2-ylethyl)phenyl]pyrazol-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 174991109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).