[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C22H29FN4O2 — CID 24790497

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)no1
InChIInChI=1S/C22H29FN4O2/c1-2-4-20-15-21(24-29-20)22(28)27-10-3-5-19(16-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,15,19H,2-5,10-14,16H2,1H3
InChIKeyZKVXCASLPCDDHJ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.19
Rot. Bonds5

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 24790497) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID24790497
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)no1
InChIInChI=1S/C22H29FN4O2/c1-2-4-20-15-21(24-29-20)22(28)27-10-3-5-19(16-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,15,19H,2-5,10-14,16H2,1H3
InChIKeyZKVXCASLPCDDHJ-UHFFFAOYSA-N
XLogP3.19
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 24790497) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)no1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ZKVXCASLPCDDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-2-4-20-15-21(24-29-20)22(28)27-10-3-5-19(16-27)26-13-11-25(12-14-26)18-8-6-17(23)7-9-18/h6-9,15,19H,2-5,10-14,16H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 400.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 24790497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).