3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

C15H26N2O4 — CID 71887084

IUPAC3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCC(C)COC1CCN(C(=O)CCN2CCOC2=O)CC1
InChIInChI=1S/C15H26N2O4/c1-12(2)11-21-13-3-6-16(7-4-13)14(18)5-8-17-9-10-20-15(17)19/h12-13H,3-11H2,1-2H3
InChIKeyNMHMJURZBCTPOG-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.49
Rot. Bonds6

About 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 71887084) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID71887084
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCC(C)COC1CCN(C(=O)CCN2CCOC2=O)CC1
InChIInChI=1S/C15H26N2O4/c1-12(2)11-21-13-3-6-16(7-4-13)14(18)5-8-17-9-10-20-15(17)19/h12-13H,3-11H2,1-2H3
InChIKeyNMHMJURZBCTPOG-UHFFFAOYSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (CID 71887084) is 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is CC(C)COC1CCN(C(=O)CCN2CCOC2=O)CC1.
What is the InChIKey of 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is NMHMJURZBCTPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12(2)11-21-13-3-6-16(7-4-13)14(18)5-8-17-9-10-20-15(17)19/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 298.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71887084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).