[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone

C19H29N3O3 — CID 110234801

IUPAC[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(Cc2cc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C19H29N3O3/c23-18(22-8-2-1-3-9-22)19(6-4-7-20-14-19)12-16-11-17(21-25-16)15-5-10-24-13-15/h11,15,20H,1-10,12-14H2
InChIKeyMTZDLLBKVWTPPJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.10
Rot. Bonds4

About [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone

[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 110234801) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID110234801
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(Cc2cc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C19H29N3O3/c23-18(22-8-2-1-3-9-22)19(6-4-7-20-14-19)12-16-11-17(21-25-16)15-5-10-24-13-15/h11,15,20H,1-10,12-14H2
InChIKeyMTZDLLBKVWTPPJ-UHFFFAOYSA-N
XLogP2.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone (CID 110234801) is [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(Cc2cc(C3CCOC3)no2)CCCNC1.
What is the InChIKey of [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is MTZDLLBKVWTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(22-8-2-1-3-9-22)19(6-4-7-20-14-19)12-16-11-17(21-25-16)15-5-10-24-13-15/h11,15,20H,1-10,12-14H2.
What are the key properties of [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110234801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).