3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C14H21N3O2 — CID 134790769

IUPAC3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCn1cccc1CN1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-15-6-2-3-13(15)11-16-7-4-12(5-8-16)17-9-10-19-14(17)18/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyRBZLAPKNWNIRDO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds3

About 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134790769) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134790769
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCn1cccc1CN1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H21N3O2/c1-15-6-2-3-13(15)11-16-7-4-12(5-8-16)17-9-10-19-14(17)18/h2-3,6,12H,4-5,7-11H2,1H3
InChIKeyRBZLAPKNWNIRDO-UHFFFAOYSA-N
XLogP1.44
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134790769) is 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is Cn1cccc1CN1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RBZLAPKNWNIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-6-2-3-13(15)11-16-7-4-12(5-8-16)17-9-10-19-14(17)18/h2-3,6,12H,4-5,7-11H2,1H3.
What are the key properties of 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134790769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).