[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C22H27FN4O — CID 24817356

IUPAC[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C22H27FN4O/c1-17-6-4-9-20(24-17)22(28)27-11-5-7-18(16-27)25-12-14-26(15-13-25)21-10-3-2-8-19(21)23/h2-4,6,8-10,18H,5,7,11-16H2,1H3
InChIKeyKBBXRYXZAQAMFB-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.96
Rot. Bonds3

About [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 24817356) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID24817356
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C22H27FN4O/c1-17-6-4-9-20(24-17)22(28)27-11-5-7-18(16-27)25-12-14-26(15-13-25)21-10-3-2-8-19(21)23/h2-4,6,8-10,18H,5,7,11-16H2,1H3
InChIKeyKBBXRYXZAQAMFB-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 24817356) is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCC(N3CCN(c4ccccc4F)CC3)C2)n1.
What is the InChIKey of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is KBBXRYXZAQAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-17-6-4-9-20(24-17)22(28)27-11-5-7-18(16-27)25-12-14-26(15-13-25)21-10-3-2-8-19(21)23/h2-4,6,8-10,18H,5,7,11-16H2,1H3.
What are the key properties of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 24817356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).