[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C23H28FN3O2 — CID 45187407

IUPAC[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C23H28FN3O2/c1-29-22-11-5-2-8-19(22)23(28)27-12-6-7-18(17-27)25-13-15-26(16-14-25)21-10-4-3-9-20(21)24/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyVLHJNXOGFDRDIJ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.26
Rot. Bonds4

About [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 45187407) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID45187407
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C23H28FN3O2/c1-29-22-11-5-2-8-19(22)23(28)27-12-6-7-18(17-27)25-13-15-26(16-14-25)21-10-4-3-9-20(21)24/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyVLHJNXOGFDRDIJ-UHFFFAOYSA-N
XLogP3.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42532022
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 45187407) is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is VLHJNXOGFDRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-29-22-11-5-2-8-19(22)23(28)27-12-6-7-18(17-27)25-13-15-26(16-14-25)21-10-4-3-9-20(21)24/h2-5,8-11,18H,6-7,12-17H2,1H3.
What are the key properties of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 397.49 g/mol, XLogP of 3.26, 4 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]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 45187407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).