[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

C23H31FN4O — CID 110148862

IUPAC[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC(Cc3ccn[nH]3)C2)CC1
InChIInChI=1S/C23H31FN4O/c1-27-13-9-23(10-14-27,16-18-4-6-20(24)7-5-18)22(29)28-12-2-3-19(17-28)15-21-8-11-25-26-21/h4-8,11,19H,2-3,9-10,12-17H2,1H3,(H,25,26)
InChIKeyFREVNRYVDFZPPJ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.28
Rot. Bonds5

About [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110148862) has the molecular formula C23H31FN4O and a molecular weight of 398.53 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110148862
Molecular FormulaC23H31FN4O
Molecular Weight398.53 g/mol
Exact Mass398.25
IUPAC Name[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC(Cc3ccn[nH]3)C2)CC1
InChIInChI=1S/C23H31FN4O/c1-27-13-9-23(10-14-27,16-18-4-6-20(24)7-5-18)22(29)28-12-2-3-19(17-28)15-21-8-11-25-26-21/h4-8,11,19H,2-3,9-10,12-17H2,1H3,(H,25,26)
InChIKeyFREVNRYVDFZPPJ-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 110150075
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
CID 110106525
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110148859
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 110148862) is [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is CN1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC(Cc3ccn[nH]3)C2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FREVNRYVDFZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O/c1-27-13-9-23(10-14-27,16-18-4-6-20(24)7-5-18)22(29)28-12-2-3-19(17-28)15-21-8-11-25-26-21/h4-8,11,19H,2-3,9-10,12-17H2,1H3,(H,25,26).
What are the key properties of [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 398.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110148862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).