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

C21H29N5O2 — CID 42856349

IUPAC(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1CCCCN1C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-17-5-2-3-8-26(17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-6-4-7-22-13-18/h4,6-7,13,16-17H,2-3,5,8-12,14-15H2,1H3
InChIKeyQPHQNNWKHBTWNW-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.40
Rot. Bonds5

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

(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 42856349) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID42856349
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC1CCCCN1C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-17-5-2-3-8-26(17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-6-4-7-22-13-18/h4,6-7,13,16-17H,2-3,5,8-12,14-15H2,1H3
InChIKeyQPHQNNWKHBTWNW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
N-benzyl-N-methyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856415
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45218773
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
3-cyclopentyl-2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 136525753
(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
CID 136553748
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 100653469
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 95204810

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (CID 42856349) is (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is CC1CCCCN1C(=O)c1coc(CN2CCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is QPHQNNWKHBTWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-5-2-3-8-26(17)21(27)19-16-28-20(23-19)15-25-11-9-24(10-12-25)14-18-6-4-7-22-13-18/h4,6-7,13,16-17H,2-3,5,8-12,14-15H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
(2-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 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 42856349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).