[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone

C22H27FN4O — CID 109152530

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C22H27FN4O/c1-17-8-10-26(11-9-17)21-7-2-18(16-24-21)22(28)27-14-12-25(13-15-27)20-5-3-19(23)4-6-20/h2-7,16-17H,8-15H2,1H3
InChIKeyAECNZQVATPMMRG-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.42
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone (PubChem CID 109152530) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
PubChem CID109152530
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C22H27FN4O/c1-17-8-10-26(11-9-17)21-7-2-18(16-24-21)22(28)27-14-12-25(13-15-27)20-5-3-19(23)4-6-20/h2-7,16-17H,8-15H2,1H3
InChIKeyAECNZQVATPMMRG-UHFFFAOYSA-N
XLogP3.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-fluorophenyl)-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827967
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone (CID 109152530) is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone is CC1CCN(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The InChIKey is AECNZQVATPMMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-17-8-10-26(11-9-17)21-7-2-18(16-24-21)22(28)27-14-12-25(13-15-27)20-5-3-19(23)4-6-20/h2-7,16-17H,8-15H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone has a molecular weight of 382.48 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109152530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).