(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

C21H29N5O2 — CID 42856397

IUPAC(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1CCN(C(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-17-4-7-26(8-5-17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-3-2-6-22-13-18/h2-3,6,13,16-17H,4-5,7-12,14-15H2,1H3
InChIKeyBIXDXMRYILCYPY-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.26
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 42856397) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID42856397
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1CCN(C(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-17-4-7-26(8-5-17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-3-2-6-22-13-18/h2-3,6,13,16-17H,4-5,7-12,14-15H2,1H3
InChIKeyBIXDXMRYILCYPY-UHFFFAOYSA-N
XLogP2.26
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (CID 42856397) is (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is CC1CCN(C(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is BIXDXMRYILCYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-4-7-26(8-5-17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-3-2-6-22-13-18/h2-3,6,13,16-17H,4-5,7-12,14-15H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
(4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 42856397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).