3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one

C19H29N3O4 — CID 53168389

IUPAC3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1
InChIInChI=1S/C19H29N3O4/c1-14-17(19(24)22-9-4-3-5-10-22)20-18(26-14)15-6-11-21(12-7-15)16(23)8-13-25-2/h15H,3-13H2,1-2H3
InChIKeyORZGHXGZBVTJHY-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.35
Rot. Bonds5

About 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 53168389) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID53168389
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1
InChIInChI=1S/C19H29N3O4/c1-14-17(19(24)22-9-4-3-5-10-22)20-18(26-14)15-6-11-21(12-7-15)16(23)8-13-25-2/h15H,3-13H2,1-2H3
InChIKeyORZGHXGZBVTJHY-UHFFFAOYSA-N
XLogP2.35
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (CID 53168389) is 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ORZGHXGZBVTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14-17(19(24)22-9-4-3-5-10-22)20-18(26-14)15-6-11-21(12-7-15)16(23)8-13-25-2/h15H,3-13H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53168389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).