[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone

C21H25FN4O — CID 109204404

IUPAC[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1)N1CCCCC1
InChIInChI=1S/C21H25FN4O/c22-17-4-6-18(7-5-17)24-12-14-25(15-13-24)19-8-9-23-20(16-19)21(27)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15H2
InChIKeyCBQNGMSUDNXFOD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.17
Rot. Bonds3

About [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone

[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204404) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204404
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1)N1CCCCC1
InChIInChI=1S/C21H25FN4O/c22-17-4-6-18(7-5-17)24-12-14-25(15-13-24)19-8-9-23-20(16-19)21(27)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15H2
InChIKeyCBQNGMSUDNXFOD-UHFFFAOYSA-N
XLogP3.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[4-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 146140363
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204404) is [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1)N1CCCCC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is CBQNGMSUDNXFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-17-4-6-18(7-5-17)24-12-14-25(15-13-24)19-8-9-23-20(16-19)21(27)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15H2.
What are the key properties of [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone?
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).