(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C20H27N5O2 — CID 164642239

IUPAC(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H27N5O2/c1-16-19(27-15-22-16)20(26)25-8-4-5-17(14-25)13-23-9-11-24(12-10-23)18-6-2-3-7-21-18/h2-3,6-7,15,17H,4-5,8-14H2,1H3/t17-/m1/s1
InChIKeyQUXVCOYCRHZBKJ-QGZVFWFLSA-N
MW369.47 g/mol
LogP2.05
Rot. Bonds4

About (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 164642239) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID164642239
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H27N5O2/c1-16-19(27-15-22-16)20(26)25-8-4-5-17(14-25)13-23-9-11-24(12-10-23)18-6-2-3-7-21-18/h2-3,6-7,15,17H,4-5,8-14H2,1H3/t17-/m1/s1
InChIKeyQUXVCOYCRHZBKJ-QGZVFWFLSA-N
XLogP2.05
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 164642239) is (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is QUXVCOYCRHZBKJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16-19(27-15-22-16)20(26)25-8-4-5-17(14-25)13-23-9-11-24(12-10-23)18-6-2-3-7-21-18/h2-3,6-7,15,17H,4-5,8-14H2,1H3/t17-/m1/s1.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164642239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).