1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C24H31FN4O2 — CID 110084471

IUPAC1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O2/c1-16-4-3-5-17(2)29(16)24(31)21-15-26-27-23(21)19-10-12-28(13-11-19)22(30)14-18-6-8-20(25)9-7-18/h6-9,15-17,19H,3-5,10-14H2,1-2H3,(H,26,27)
InChIKeyBKWZWPNRNKLGQZ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 110084471) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID110084471
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O2/c1-16-4-3-5-17(2)29(16)24(31)21-15-26-27-23(21)19-10-12-28(13-11-19)22(30)14-18-6-8-20(25)9-7-18/h6-9,15-17,19H,3-5,10-14H2,1-2H3,(H,26,27)
InChIKeyBKWZWPNRNKLGQZ-UHFFFAOYSA-N
XLogP3.90
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110084472
1-[4-[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959143
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959144
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124987050
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110084449
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236660
1-[4-[4-(2,6-dimethylmorpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110236654
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110082922
1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583937
1-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 92584402
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 110084471) is 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is CC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is BKWZWPNRNKLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-16-4-3-5-17(2)29(16)24(31)21-15-26-27-23(21)19-10-12-28(13-11-19)22(30)14-18-6-8-20(25)9-7-18/h6-9,15-17,19H,3-5,10-14H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 426.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 110084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).