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

C23H30N4O3 — CID 24817408

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1
InChIInChI=1S/C23H30N4O3/c1-29-21-7-3-2-6-20(21)26-13-11-25(12-14-26)18-5-4-10-27(16-18)23(28)19-15-22(30-24-19)17-8-9-17/h2-3,6-7,15,17-18H,4-5,8-14,16H2,1H3
InChIKeyLPNGWZLGQVIMMH-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.99
Rot. Bonds5

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24817408) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24817408
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1
InChIInChI=1S/C23H30N4O3/c1-29-21-7-3-2-6-20(21)26-13-11-25(12-14-26)18-5-4-10-27(16-18)23(28)19-15-22(30-24-19)17-8-9-17/h2-3,6-7,15,17-18H,4-5,8-14,16H2,1H3
InChIKeyLPNGWZLGQVIMMH-UHFFFAOYSA-N
XLogP2.99
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24817408) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is LPNGWZLGQVIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-29-21-7-3-2-6-20(21)26-13-11-25(12-14-26)18-5-4-10-27(16-18)23(28)19-15-22(30-24-19)17-8-9-17/h2-3,6-7,15,17-18H,4-5,8-14,16H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24817408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).