[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H26N4O3 — CID 53168392

IUPAC[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-15-18(21(27)24-10-3-2-4-11-24)23-19(28-15)16-7-12-25(13-8-16)20(26)17-6-5-9-22-14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3
InChIKeyICSAULHOSMSEIZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.02
Rot. Bonds3

About [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53168392) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID53168392
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-15-18(21(27)24-10-3-2-4-11-24)23-19(28-15)16-7-12-25(13-8-16)20(26)17-6-5-9-22-14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3
InChIKeyICSAULHOSMSEIZ-UHFFFAOYSA-N
XLogP3.02
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 53168392) is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1oc(C2CCN(C(=O)c3cccnc3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ICSAULHOSMSEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-18(21(27)24-10-3-2-4-11-24)23-19(28-15)16-7-12-25(13-8-16)20(26)17-6-5-9-22-14-17/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 382.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53168392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).